HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080940

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
LC50	=	4.2	ug.mL-1
LC50	=	9.9	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080941

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
LC50	=	3.8	ug.mL-1
LC50	=	5	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080942

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	535	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080943

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	26.2	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080944

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	1200	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080945

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	22.3	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080946

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	48.5
RatioLC50	>	2780

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bombus terrestris

External ID: CHEMBL3083682

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2010
Volume: 66
Issue: 7
First Page: 786
Last Page: 793
DOI: 10.1002/ps.1943

Target ChEMBL ID: CHEMBL2367044
ChEMBL Target Name: Bombus terrestris
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Active
Activity	Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080947

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	0.9
RatioLC50	>	2780

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：N/A

External ID: ARE853

Protocol: Assay Protocol Summary:

ARE-bla HepG2 cells were dispensed at 2,000 cells/5 ul/well in 1536-well black wall/clear bottom plates using a Multidrop Combi (ThermoFisher Scientific, Waltham, MA) dispenser. After the assay plates were incubated at 37C/5% CO2 for 5 hrs, 23 nL of compounds dissolved in DMSO, positive controls or DMSO only was transferred to the assay plate by a pintool work station (Kalypsys, San Diego, CA). The plates were incubated at 37C/5% CO2 for 16 hrs. After 1 uL of LiveBLAzer B/G FRET substrate was added using a Flying Reagent Dispenser (FRD) (Aurora Discovery, San Diego, CA), the assay plates were incubated at room temperature for 2 hrs. The fluorescence intensity was measured by an Envision (PerkinElmer, Shelton, CT) plate reader. Cell viability using CellTiter Glo viability assay (Promega, Madison, WI) was also measured by adding 4 ul/well of CellTiter-Glo reagent into the same assay plate using a FRD. After 30 min incubation at room temperature, the luminescence intensity in the plates was measured using a ViewLux (PerkinElmer) plate reader.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	Activity_Score-Replicate_1	Curve_Description-Replicate_1	Fit_LogAC50-Replicate_1	Fit_HillSlope-Replicate_1	Fit_R2-Replicate_1	Fit_InfiniteActivity-Replicate_1	Fit_ZeroActivity-Replicate_1	Fit_CurveClass-Replicate_1	Excluded_Points-Replicate_1	Max_Response-Replicate_1	Activity at 0.00156 uM-Replicate_1	Activity at 0.00466 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.014 uM-Replicate_1	Activity at 0.042 uM-Replicate_1	Activity at 0.068 uM-Replicate_1	Activity at 0.127 uM-Replicate_1	Activity at 0.378 uM-Replicate_1	Activity at 0.768 uM-Replicate_1	Activity at 1.156 uM-Replicate_1	Activity at 3.420 uM-Replicate_1	Activity at 5.843 uM-Replicate_1	Activity at 30.24 uM-Replicate_1	Activity at 43.68 uM-Replicate_1	Activity at 92.27 uM-Replicate_1	Compound QC-Replicate_1
Inactive			0							4		-7.9267	18.111	9.5376	2.8218	4.2313	2.5951	8.141	22.2555	-0.9762	4.4869	1.0555	11.9398	-2.1932	9.1739	-2.9379	-7.9267	QC'd by "SigmaAldrich"
Cytotoxic	39.8107	76.4961	20	Partial curve; partial efficacy; poor fit	-4.4	3.132	0.9573	-73.6931	2.8031	-2.4	0 0 0 0 0 0 1 0 0 0 0 0 0 0 0	-70.4891	0.594	3.9397	1.8201	2.2162	-0.3965	7.9525	27.9737	13.4495	5.2186	2.3905	-5.7928	-0.097	-4.0371	-34.0747	-70.4891	QC'd by "SigmaAldrich"
Inactive			0							4		-6.4197	-8.0742	7.0374	-8.0467	1.9334	0.5777	17.7603	-0.1792	2.1133	-0.8489	10.9209	-2.1348	-5.7077	6.6392	1.8447	-6.4197	QC'd by "SigmaAldrich"
Inactive			0			1.4641	0.5897	1.5101	15	4	1 0 0 0 0 0 0 0 0 0 0 0 0 1 0	-0.4083	5.9967	10.6683	13.8956	15.7505	11.0646	10.5145	24.0917	13.524	20.0089	11.3537	3.7045	8.358	3.5889	25.2759	-0.4083	QC'd by "SigmaAldrich"
Cytotoxic	70.7946	79.2143	20	Single point of activity	-4.15	2.4064	0.8466	-68.7143	10.5	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-50.9318	10.8304	9.6229	9.3916	16.4622	25.0303	12.4636	3.0979	7.4297	10.5002	6.2918	3.2535	9.6845	4.846	3.7918	-50.9318	QC'd by "SigmaAldrich"
Inactive			0							4		4.1098	-0.5497	6.0788	2.6108	3.0543	10.3451	8.1257	-4.9358	-1.0142	8.1404	0.8878	2.856	5.4453	-0.0172	6.1356	4.1098	QC'd by "SigmaAldrich"
Inactive			0			2.3332	0.7113	-28.9982	-1	4	0 0 0 0 1 0 0 0 0 0 0 0 0 0 0	-29.1652	-6.7688	2.8435	-1.5803	-0.8584	21.2136	-2.0775	-1.2754	-3.3714	0.2281	9.4165	-7.1548	-1.5835	-7.3593	-6.8998	-29.1652	QC'd by "SigmaAldrich"
Inactive			0							4		3.0077	13.6806	6.5676	3.8763	2.0524	21.7221	9.6005	2.4162	18.6018	4.3982	7.2803	5.288	4.1377	15.6413	6.8738	3.0077	QC'd by "DPISMR"
Cytotoxic	44.6684	41.4945	20	Partial curve; partial efficacy; poor fit	-4.35	0.6	0.8038	-45.4945	-4	-2.4	0 0 0 0 0 0 0 0 1 0 0 0 0 0 0	-34.5787	-5.1436	-5.3444	-1.7167	-8.6444	-6.6897	-1.1828	-12.8587	0.6949	7.3343	-8.7065	-13.9948	-17.033	-15.0776	-20.3984	-34.5787	QC'd by "SigmaAldrich"
Inactive			0			4.5045	0.9153	23.5	-7.378	4	1 0 0 0 0 0 0 0 0 0 0 0 0 0 1	3.1782	3.6322	-8.4854	-6.871	-5.4963	-9.0477	-3.5189	-7.3187	-8.7647	-6.4332	-8.638	-6.0235	-12.815	-3.1795	18.9326	3.1782	QC'd by "SigmaAldrich"
Inactive			0			1	0.8139	-8.4334	11	4	1 0 0 0 0 0 0 0 0 0 0 0 0 1 0	-7.4445	4.5386	8.5614	8.042	8.6591	11.8516	16.4073	10.9981	11.7491	11.4208	8.6191	0.0977	4.7777	-1.5541	21.3896	-7.4445	QC'd by "SigmaAldrich"
Inactive			0							4		6.2737	4.9378	12.7308	8.5093	9.2458	27.1591	5.1674	23.7622	10.5322	9.7651	-0.6618	2.2491	16.623	5.2526	13.6881	6.2737	QC'd by "SigmaAldrich"
Inactive			0			1.9673	0.475	-7.8442	12	4	0 0 0 0 0 0 0 1 0 0 0 1 0 0 0	-3.2035	10.5277	9.4324	7.575	9.1107	19.2217	15.1754	13.6885	23.6827	15.9045	7.3948	14.5193	-1.3587	6.9665	12.633	-3.2035	QC'd by "SigmaAldrich"
Inactive			0							4		0.3079	2.5013	7.6773	4.6402	0.4307	8.7973	6.4732	21.8373	8.1183	21.7055	6.5072	11.364	3.9281	-2.52	3.0394	0.3079	QC'd by "SigmaAldrich"
Inactive			0							4		-2.7785	2.2288	4.1145	16.7672	3.8162	-0.2683	8.9848	3.6193	3.0915	6.4055	-2.4431	6.2984	-0.34	-2.4435	10.9967	-2.7785	QC'd by "SigmaAldrich"
Inactive			0							4		-7.106	4.2611	9.3798	6.1657	13.4221	-3.5326	1.0073	4.2824	6.7166	11.396	1.836	-1.197	-1.6852	-4.6224	-2.2792	-7.106	QC'd by "SigmaAldrich"
Inactive			0							4		-5.4629	-4.5023	-3.5681	9.0845	-5.5405	0.1801	4.0261	0.3301	-1.0248	-8.0609	3.5512	-0.3169	-8.3044	8.7933	-6.4431	-5.4629	QC'd by "SigmaAldrich"
Inactive			0			0.9	0.7692	-16.5134	8	4	0 1 0 0 0 0 0 1 0 0 0 0 0 0 0	-18.4509	7.3853	-11.5321	-1.3009	-0.3552	-12.1696	-6.4421	-12.5656	-3.0322	-22.0317	-15.2902	-15.383	-24.1778	-11.5913	-10.7786	-18.4509	QC'd by "SigmaAldrich"
Inactive			0							4		1.0633	1.2682	-0.6011	-4.2757	-3.5637	0.8227	4.7928	15.4509	1.5369	2.2868	3.9122	-2.7054	4.448	2.5507	3.2981	1.0633	QC'd by "SigmaAldrich"
Cytotoxic	0.1	48.7878	25	Complete curve; partial efficacy	-7	4.9549	0.9751	-38.8977	9.8901	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-34.3208	6.2663	7.7126	6.5531	9.3895	14.7362	9.4105	-37.6427	-32.6669	-42.9861	-43.0648	-36.5349	-40.8885	-40.1426	-38.75	-34.3208	QC'd by "SigmaAldrich"

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：retinoid X nuclear receptor alpha [Homo sapiens]

External ID: RXRA10

Protocol: NCGC Assay Protocol Summary

Using a beta-lactamase reporter-gene under control of Retinoid X receptor--alpha (RXR-alpha) response element, a cell-based assay [GeneBLAzer (RXR-alpha -UAS-bla assay developed by Invitrogen] was used to measure RXR-alpha ligands signaling. GeneBLAzer RXR-alpha -UAS-bla HEK293T cells were used with assay medium containing 2% charcoal-stripped FBS. The assay was performed in clear bottom black Greiner 1536-well plates. 9-cis-retinoic acid was used in the screen as the positive control. Library compounds were measured for their ability to stimulate the reporter gene activity. Compounds were screened in a titration series in 1536-well format. The fluorescence intensity (405 nm excitation, 460/530 nm emission) was measured using an EnVision plate reader. Data was normalized relative to 9-cis-retinoic acid control (500 nM, 100%), and DMSO only wells (basal, 0%). Concentration-response titration points for each compound were fitted to the Hill equation yielding concentrations of half-maximal stimulation (EC50) and maximal response (efficacy) values.

qHTS protocol for RXR-alpha beta-lactamase assay in agonist mode

[Step] [Parameter] [Value] [Description]
1. Reagent; 6 uL; 2500 cells/well
2. Incubation; 37 C for 4 hrs
3. Compounds; 23 nL; 0.59 nM to 92 uM
4. Controls (9-cis-retinoic acid); 23 nL,
- One column with dose response, start 38 uM, 1:3 dilutions in duplicates
- Final concentrations of 500 nM and 50 nM in two columns
5. Incubation; 37 C for 18 hrs
6. Detection reagent; 1 uL of CCF4-dye
7. Incubation; RT for 2 hrs
8. Detection; Fluorescence; Envision plate reader

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, active compounds are expected to have the activator phenotype and apparent activators are ranked higher than compounds that showed apparent inhibition.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype	Potency	Efficacy	W460-Curve_Description	W460-Fit_LogAC50	W460-Fit_HillSlope	W460-Fit_R2	W460-Fit_InfiniteActivity	W460-Fit_ZeroActivity	W460-Fit_CurveClass	W460-Excluded_Points	W460-Max_Response	W460-Activity at 0.0004334456 uM	W460-Activity at 0.00130 uM	W460-Activity at 0.00387 uM	W460-Activity at 0.00490 uM	W460-Activity at 0.012 uM	W460-Activity at 0.035 uM	W460-Activity at 0.057 uM	W460-Activity at 0.106 uM	W460-Activity at 0.314 uM	W460-Activity at 0.650 uM	W460-Activity at 0.961 uM	W460-Activity at 2.843 uM	W460-Activity at 4.858 uM	W460-Activity at 8.490 uM	W460-Activity at 25.15 uM	W460-Activity at 36.32 uM	W460-Activity at 76.71 uM	Ratio-Curve_Description	Ratio-Fit_LogAC50	Ratio-Fit_HillSlope	Ratio-Fit_R2	Ratio-Fit_InfiniteActivity	Ratio-Fit_ZeroActivity	Ratio-Fit_CurveClass	Ratio-Excluded_Points	Ratio-Max_Response	Ratio-Activity at 0.0004334456 uM	Ratio-Activity at 0.00130 uM	Ratio-Activity at 0.00387 uM
Activator	0.3981	94.3102	Complete curve; high efficacy	-6.1	1	0.991	127.9258	-19.0693	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-62.65		-9.0667	-21.6362	-15.225	-21.1173	-17.2652	-16.9516	-1.8952	18.9496	53.5522	71.2003	92.1942	114.4583		114.2983	131.5683	-62.65	Complete curve; high efficacy	-6.4	1.111	0.9747	89.7418	-4.5684	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-38.2759		-2.5797	-7.2063
Activator	0.7079	81.2823	Complete curve; high efficacy; poor fit	-6	0.7	0.8252	115.1338	16.4477	1.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	116.5353		9.909	12.2273	30.0431	39.7281	48.0939	33.4906	6.884	33.53	52.8936	81.9524	108.1287	82.3031		101.5156	88.9027	116.5353	Complete curve; high efficacy	-6.15	0.6	0.9569	98.3475	17.0652	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 1 0	83.9224		13.5268	12.8195
Activator	0.3548	85.2313	Complete curve; high efficacy	-6.4	4.095	0.9311	83.8979	-15.1727	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-72.5715		-21.3871	-23.6696	0.7934	-13.7075	-33.2439	-9.7903	-5.6915	2.1689	71.3253	72.0233	67.8726	76.7992		116.5737	85.1369	-72.5715	Complete curve; high efficacy	-6.45	1.3443	0.9581	85.9697	0.7384	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-22.0259		1.8507	-4.5325
Activator	2.2387	80.946	Complete curve; high efficacy	-5.8	3.0654	0.9418	83.1183	-9.4395	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	64.7139		-17.3341	-5.2542	-16.3257	1.1134	-13.9347	-0.33	-10.9558	-10.748	-0.7748	20.8534	78.0864	102.2605		94.0734	66.2593	64.7139	Complete curve; high efficacy	-5.65	3.5117	0.9237	86.334	5.388	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	58.5526		4.2805	3.5393
Activator	17.7828	113.8693	Partial curve; high efficacy; poor fit	-4.7	1.1	0.8916	147.769	7.8465	2.3	0 0 1 0 0 0 0 0 0 0 0 0 0 0 0	124.0822		3.1933	21.1449	56.7763	41.8826	-1.8635	-10.2532	5.207	3.1848	17.7569	27.4904	19.7114	44.0306		57.5161	105.3023	124.0822	Complete curve; high efficacy	-4.75	1	0.9685	133.3693	19.5	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	111.3816		23.3594	20.4792
Activator	15.8489	91.1927	Partial curve; high efficacy	-4.8	0.9	0.963	113.891	-11.1458	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	94.1578		-4.701	-8.5326	-26.3618	-17.8816	-0.5504	-10.5738	-6.1986	-11.6922	-7.3063	10.7904	11.0416	26.4804		50.3326	67.21	94.1578	Complete curve; high efficacy	-4.8	1.4163	0.9849	95.4957	4.303	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	87.306		4.8931	7.0219
Activator	3.5481	68.4136	Complete curve; partial efficacy	-5.95	0.9	0.9587	70.9859	-3.062	1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-33.9919		-3.4093	-4.7336	-8.8017	-4.9482	9.4739	7.4686	0.2948	13.9993	27.5973	26.1396	55.0737	63.1461		65.2994	63.3692	-33.9919	Complete curve; partial efficacy	-5.45	1.331	0.9629	73.7222	5.3086	1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 1 0	78.0263		3.7225	1.7696
Activator	2.8184	76.8269	Partial curve; high efficacy; poor fit	-5.4	0.8	0.8799	104.9999	-8.4323	2.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	105.5563		-13.8095	-24.3471	21.4134	4.8809	-34.4436	1.9496	10.6336	-4.4446	7.5648	24.5374	49.2301	68.974		68.4083	76.0015	105.5563	Complete curve; partial efficacy	-5.55	1	0.9709	82.3413	5.5144	1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	77.1767		4.7796	2.9688
Activator	7.9433	72.371	Partial curve; high efficacy	-4.6	1	0.9636	159.4803	-6.3512	2.1	0 0 0 0 1 0 0 0 0 0 0 0 0 0 0	125.169		-8.1922	4.4645	-10.0623	5.5031	221.5149	-21.1431	-14.0214	-8.8052	-0.4312	7.5058	20.3154	25.9393		53.0298	82.1386	125.169	Complete curve; partial efficacy	-5.1	1.331	0.9798	71.7614	-0.6096	1.2	0 0 0 0 1 0 0 0 0 0 0 0 0 0 0	67.9934		1.7988	0.0422
Activator	12.5893	106.4883	Partial curve; high efficacy	-4.85	1	0.9344	150.9392	-3.9515	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	143.0122		0.7573	2.1724	15.6069	-7.7525	-14.4613	-14.2288	-15.8712	-7.3126	22.3947	2.6957	20.7082	57.6842		62.5095	98.5531	143.0122	Partial curve; high efficacy	-4.9	0.9	0.9835	104.0369	-2.4514	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	90.3289		-0.8578	-3.782
Activator	15.8489	98.547	Partial curve; high efficacy	-4.8	0.7	0.9581	132.0174	-17.8418	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	110.2009		-13.8965	-13.0366	-28.7648	-10.8468	-17.8762	-21.8605	-11.3287	-5.8378	-3.5996	10.0372	15.7439	42.0232		47.8163	61.8086	110.2009	Partial curve; high efficacy	-4.8	0.9	0.9827	102.9143	4.3673	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	89.375		3.1646	-0.5348
Activator	14.1254	81.7593	Partial curve; high efficacy	-5	1	0.9723	116.5339	-4.8387	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	103.0395		-8.8837	-12.8827	4.8126	6.2157	-4.4021	-16.4825	-2.3945	-2.4031	4.5778	6.572	29.1463	38.3672		73.89	86.7108	103.0395	Partial curve; partial efficacy	-4.85	0.9	0.98	87.696	5.9367	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	71.25		9.4937	4.2781
Activator	39.8107	104.4244	Partial curve; high efficacy	-4.4	3.5117	0.9741	118.3696	-10.7237	2.1	0 0 0 0 0 0 0 0 1 0 0 0 0 0	112.8498	-9.076		-3.3462		-5.5236	-7.4905	-14.6166	-14.579	-17.7298	-19.4067	55.0988		-17.6145	-7.6107	4.2617	46.6527	112.8498	Partial curve; high efficacy	-4.4	3.132	0.9769	107.3854	2.961	2.1	0 0 0 0 0 0 0 0 1 0 0 0 0 0	96.6652	-0.4748		-6.096
Activator	14.1254	74.3774	Partial curve; partial efficacy; poor fit	-4.85	0.8	0.8533	80.193	-4.8473	2.4	0 0 0 0 0 0 0 0 0 0 0 1 0 0 0	56.784		5.4615	-6.105	-11.4666	-5.3406	1.5617	-6.4745	-13.6328	-13.3688	16.1135	18.0715	5.8771	71.3314		29.0236	66.6084	56.784	Partial curve; partial efficacy	-4.85	0.9	0.9016	67.9105	-6.4669	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	63.9474		-4.7552	-8.5526
Activator	15.8489	81.9892	Complete curve; partial efficacy	-5.1	1.21	0.911	72.7314	-12.6478	1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	62.2889		-14.0925	-23.7456	-17.403	8.8227	-5.4406	-25.0933	-16.4099	-11.4407	-4.3728	4.6678	7.3366	15.6028		53.5415	64.5485	62.2889	Partial curve; partial efficacy	-4.8	1.2221	0.9739	76.9375	-5.0517	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	71.8319		-4.2994	-2.0284
Activator	44.6684	74.5736	Partial curve; partial efficacy; poor fit	-4.5	0.7	0.7791	95.1019	-12.4976	2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	74.7074		-9.9921	-25.9296	11.6578	-10.9356	-25.0872	-13.9657	-20.1128	-9.1493	-6.3858	16.5432	11.3271	11.6677		18.4204	26.7502	74.7074	Partial curve; partial efficacy	-4.35	1.9673	0.9358	79.2922	4.7186	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	68.125		2.5316	8.5561
Activator	17.7828	71.469	Complete curve; high efficacy	-4.85	1	0.9565	155.8115	-3.1445	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	138.9671		-8.5727	-17.6274	3.0135	8.3812	-14.3925	-8.2323	10.147	-1.2873	4.0392	26.6373	27.8053	46.6947		63.5244	117.1375	138.9671	Partial curve; partial efficacy	-4.75	1.3443	0.9475	72.516	1.047	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	70.3289		0.4081	-0.5735
Activator	15.8489	92.2215	Partial curve; partial efficacy	-4.9	0.8	0.9511	72.8863	-27.53	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	57.3642		-22.3149	-31.3785	-30.0961	-31.6917	-30.3837	-24.4873	-17.1335	-21.7135	-21.4845	-7.6819	-8.5991	6.9489		39.3815	29.8589	57.3642	Partial curve; high efficacy	-4.8	1.21	0.9848	94.3125	2.091	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	87.9741		2.4836	-2.3935
Activator	35.4813	74.175	Partial curve; high efficacy	-4.4	2.4064	0.9661	117.7133	3.2436	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0	98.1581	9.2989		7.4768		5.9035	-7.4143	-4.138	-2.328	10.5147	6.8718	7.0634		-0.0743	6.2183	18.0108	57.6253	98.1581	Partial curve; partial efficacy	-4.45	3.9295	0.9528	73.612	-0.563	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0	71.2017	2.7501		4.0066
Activator	39.8107	89.9614	Partial curve; high efficacy; poor fit	-4.45	2.8473	0.8731	102.4168	-1.6834	2.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	92.5269		17.5775	-2.4645	5.6816	-9.8082	7.6841	-13.4426	-21.9053	-9.0402	-1.2631	-0.9695	13.3109	-1.6433		7.9088	46.6611	92.5269	Partial curve; partial efficacy	-4.4	1.7885	0.9694	92.5433	2.5819	2.2	1 0 0 0 0 0 0 0 0 0 0 0 0 0 0	71.4224		19.223	-0.5495

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080948

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	11.1
RatioLC50	>	2780

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：thyroid hormone receptor beta [Homo sapiens]

External ID: TRBA10

Protocol: NCGC Assay Protocol Summary

Using a beta-lactamase reporter-gene under control of the TR response element, a cell-based assay [GeneBLAzer TR-UAS-bla-GripTite assay developed by Invitrogen] was used to measure TR-beta signaling in agonist mode. TR-UAS-bla-GripTite HEK 293 cells were used with assay medium containing 2% charcoal/dextran FBS, 0.1 mM NEAA and 1 mM sodium pyruvate. The assay was performed in clear bottom black Greiner 1536-well plates. T3 was used as a positive control in the screen. Library compounds were measured for their ability to stimulate the reporter gene activity. Compounds were screened in a titration series in 1536-well format. The fluorescence intensity (405 nm excitation, 460/530 nm emission) was measured using an EnVision plate reader. Data was normalized relative to T3 control (10 nM, 100%), and DMSO only wells (basal, 0%). Concentration-response titration points for each compound were fitted to the Hill equation yielding concentrations of half-maximal stimulation (EC50) and maximal response (efficacy) values.

qHTS protocol for TR-beta beta-lactamase assay in agonist mode

[Step] [Parameter] [Value] [Description]
1. Reagent; 6 uL; 2500 cells/well
2. Incubation; 37 C for 4 hrs
3. Compounds; 23 nL; 0.59 nM to 92 uM
4. Controls (T3); 23 nL;
- Dose response; start 3.8 uM, 1:3 dilutions, duplicates in first column
- Two columns of each 10 and 0.4 nM (finals) concentrations.
5. Incubation; 37 C for 18 hrs
6. Detection reagent; 1 uL of CCF4-dye
7. Incubation; RT for 2 hrs
8. Detection; Fluorescence; Envision plate reader

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, active compounds are expected to have the activator phenotype and apparent activators are ranked higher than compounds that showed apparent inhibition.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype	Potency	Efficacy	W460-Curve_Description	W460-Fit_LogAC50	W460-Fit_HillSlope	W460-Fit_R2	W460-Fit_InfiniteActivity	W460-Fit_ZeroActivity	W460-Fit_CurveClass	W460-Excluded_Points	W460-Max_Response	W460-Activity at 0.0004334487 uM	W460-Activity at 0.00130 uM	W460-Activity at 0.00387 uM	W460-Activity at 0.00490 uM	W460-Activity at 0.012 uM	W460-Activity at 0.035 uM	W460-Activity at 0.057 uM	W460-Activity at 0.106 uM	W460-Activity at 0.314 uM	W460-Activity at 0.650 uM	W460-Activity at 0.961 uM	W460-Activity at 2.843 uM	W460-Activity at 4.857 uM	W460-Activity at 8.490 uM	W460-Activity at 25.15 uM	W460-Activity at 36.32 uM	W460-Activity at 76.71 uM	Ratio-Curve_Description	Ratio-Fit_LogAC50	Ratio-Fit_HillSlope	Ratio-Fit_R2	Ratio-Fit_InfiniteActivity	Ratio-Fit_ZeroActivity	Ratio-Fit_CurveClass	Ratio-Excluded_Points	Ratio-Max_Response	Ratio-Activity at 0.0004334487 uM	Ratio-Activity at 0.00130 uM	Ratio-Activity at 0.00387 uM
Activator	44.6684	306.6807	Partial curve; high efficacy	-4.4	1.9282	0.9899	372.8244	-2.5536	2.1	0 0 0 0 0 1 0 0 0 0 0 0 0 0 0	304.6592		-7.3278	-4.9843	-3.6408	-6.9612	-7.0889	211.3992	-3.9387	-5.6232	-6.9679	-1.3256	10.6545	24.8528		58.1728	141.9887	304.6592	Partial curve; high efficacy	-4.35	2.2526	0.9764	324.3216	17.6409	2.1	0 0 0 0 0 1 0 0 0 0 0 0 0 0 0	272.6897		10.9355	13.9634
Activator	25.1189	353.8884	Complete curve; high efficacy	-4.6	2.4064	0.9888	646.7746	1.1198	1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	573.5982		0.5048	0.5013	1.3674	-0.6518	-0.3299	2.8049	-3.8791	2.6574	0.5423	2.3329	8.285	36.1227		116.5331	494.8661	573.5982	Partial curve; high efficacy	-4.6	2.4064	0.9878	348.752	-5.1364	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	314.7331		-9.1619	-8.7771
Activator	39.8107	174.9024	Partial curve; high efficacy	-4.4	2.7868	0.9865	256.2896	4.115	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0	232.5366	4.772		5.5249		3.2048	1.5184	5.5981	4.4661	2.4545	3.9782	5.8256		-0.454	12.3062	38.3224	104.1121	232.5366	Partial curve; high efficacy	-4.4	2.1211	0.9706	162.1318	-12.7706	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0	134.811	-11.3934		-20.2334
Activator	39.8107	199.6577	Partial curve; high efficacy	-4.35	3.9295	0.9889	367.8896	-0.533	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	361.314		-4.0719	-5.2463	1.3194	-2.967	-0.8506	-3.183	-3.4671	2.892	-4.3737	-6.5757	-2.1908	-0.1505		18.4783	92.5937	361.314	Partial curve; high efficacy	-4.4	3.99	0.9911	200.8044	1.1466	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	198.4131		1.3354	-0.2585
Activator	44.6684	72.0806	Partial curve; high efficacy	-4.35	3.5117	0.9571	133.3471	-0.6899	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	136.4175		-4.6905	-2.8863	3.6742	-0.8986	-0.2533	-0.6777	0.2105	1.4083	-3.6091	-2.5045	-1.446	6.112		7.23	22.8823	136.4175	Partial curve; partial efficacy	-4.35	3.0654	0.9253	74.1854	2.1047	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	72.1612		4.77	-0.2509
Activator	35.4813	96.08	Partial curve; high efficacy	-4.4	2.4729	0.9969	115.6783	-1.2198	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	97.066		-3.9632	-1.8043	-0.2216	-3.3685	-2.5416	-2.0519	-0.9016	0.0676	0.4683	-1.8332	-2.5313	1.7701		11.3854	47.4841	97.066	Partial curve; high efficacy	-4.45	2.2481	0.9788	96.6577	0.5777	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	81.685		3.3333	-3.8911
Activator	39.8107	125.5773	Partial curve; high efficacy	-4.4	2.4729	0.9774	119.7172	-1.5922	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0	107.507			-4.3422		-7.0549	-2.0555	-4.6793	-2.4479	-3.6364	-2.2575	-2.4926		0.8962	8.3933	18.6314	48.7365	107.507	Single point of activity	-4.4	1.8617	0.9291	70.2798	-55.2975	3	0 1 0 0 0 0 0 0 0 0 0 0 0	51.0415			-59.0962
Activator	44.6684	47.0849	Partial curve; partial efficacy	-4.35	2.2526	0.9433	77.8244	1.3191	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0	68.7582	2.0466		-2.1577		2.3736	0.3555	2.0614	0.5288	0.5027	0.0497	1.1176		1.6529	7.4826	15.4301	22.8276	68.7582	Single point of activity	-4.35	3.9295	0.9446	34.3158	-12.7691	3	1 0 0 0 0 0 0 0 0 0 0 0 0 0	35.0779	3.5749		-10.2744
Activator	39.8107	57.8913	Partial curve; partial efficacy	-4.4	1.6259	0.94	62.5773	-0.6611	2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	49.2673		-5.5509	-1.2063	5.8656	-1.2618	-4.0976	2.926	0.1292	-0.4432	-5.0004	-0.5652	-1.1666	5.4724		14.3952	22.1732	49.2673	Partial curve; partial efficacy	-4.4	2.7868	0.9249	56.3369	-1.5544	2.2	0 0 0 0 0 0 0 0 0 0 1 0 0 0 0	50.1629		4.4201	-0.8213
Activator	50.1187	67.1498	Single point of activity	-4.3	3.99	0.9063	110.0646	-2.3041	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	125.6202		-2.1743	-0.3014	1.0055	-1.3568	-1.5639	-2.5011	-1.5218	-0.277	-4.6337	-3.2305	-2.5808	-2.3307		-1.8226	0.5399	125.6202	Single point of activity	-4.3	3.9295	0.846	68.5235	1.3737	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	79.3452		-4.6149	-6.5273
Activator	28.1838	43.6311	Single point of activity	-4.6	4.9549	0.9711	53.8648	-1.49	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-1.9821		-4.1584	0.8278	-1.6273	-0.563	-1.7054	-1.665	-0.853	-2.6782	-2.5192	1.6826	-2.8222	2.1829		-1.0955	44.6467	-1.9821	Single point of activity	-4.55	4.9549	0.8028	39.3417	-4.2894	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-6.3298		0.6869	-8.7784
Activator	25.1189	54.0686	Single point of activity	-4.6	4.9549	0.9867	95.7063	-11.5211	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-10.4965		-13.0104	-8.8828	-8.2216	-10.5232	-10.8154	-10.3291	-9.121	-10.538	-15.4342	-13.2456	-10.9706	-12.47		-9.8987	77.5727	-10.4965	Single point of activity	-4.6	4.9549	0.9394	41.8559	-12.2127	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-13.4733		-17.2421	-13.8381
Activator	50.1187	33.792	Single point of activity	-4.3	4.9549	0.9857	72.012	1.7464	3	0 0 0 0 0 0 0 0 0 0 0 0	68.5295	0.7287	1.4239	0.691		3.1499	5.3966		2.1913	3.4136		1.7594	1.0247		1.1498	-0.3082		68.5295	Single point of activity	-4.3	4.9549	0.8555	36	2.208	3	0 0 0 0 0 0 0 0 0 0 0 0	34.7885	9.0041	5.7299	4.502
Activator	44.6684	55.5252	Single point of activity	-4.35	4.9549	0.9962	139.9612	1.333	3	0 0 0 0 0 0 0 0 0 0 0 0	133.5978	0.4716	0.3014	0.6631		6.2381	1.9309		2.1082	1.0574		1.9294	1.5627		2.2408	4.4917		133.5978	Single point of activity	-4.35	4.9549	0.946	60.9727	5.4475	3	0 0 0 0 0 0 0 0 0 0 0 0	57.2988	4.6385	2.7285	1.7735
Inconclusive	22.3872	38.1092							4	0 0 0 0 0 0 0 0 0 0 0 0 0	-14.5008			-37.7855		-38.0888	-34.8771	-38.7119	-36.0078	-42.1551	-37.2115	-35.422		-39.3711	-28.8121	-28.6229	-21.0163	-14.5008							4	0 0 0 0 0 0 0 0 0 0 0 0 0	9.6646			-47.4613
Inconclusive			Complete curve; partial efficacy	-9.05	4.095	0.9325	-29.3641	9	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-30.0889	5.9559		-28.8423		-30.0189	-27.9672	-32.8035	-24.5831	-30.877	-26.1609	-29.2258		-32.434	-26.0479	-32.3103	-31.6096	-30.0889							4		-25.0831	-8.0791		-29.1088
Inconclusive	25.1189	107.7103							4		-2.913	9.0217		3.7757		7.2876	4.4191	4.0942	4.9208	3.0073	3.9211	3.9388		0.2928	-0.2849	-1.2499	-8.7932	-2.913	Partial curve; high efficacy	-4.5	4.9549	0.9939	141.8882	-13.0502	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0	139.1989	-16.7222		-3.7259
Inconclusive	1.4125	32.5684							4		-10.588	-2.5833		-10.8332		-13.6312	-11.3211	-10.344	-15.3232	-13.8762	-7.8426	-13.8751		-15.602	-7.7025	-16.7448	-15.2202	-10.588							4		4.8996	-5.3989		-4.3909
Inconclusive									4		-24.3924	-10.503		-23.5043		-27.9173	-25.3169	-26.4828	-23.5694	-26.5032	-21.6224	-27.0817		-27.3447	-23.1252	-27.3947	-22.6954	-24.3924	Complete curve; partial efficacy; poor fit	-9.05	3.2975	0.8249	-29.4942	0.6066	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-29.7627	-3.2445		-28.5547
Inconclusive			Complete curve; partial efficacy; poor fit	-8.9	4.045	0.8449	-24.2663	4.5	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-30.6386	3.7428		-22.3303		-20.1397	-24.2428	-19.3317	-23.4111	-28.9182	-25.075	-23.9564		-22.6896	-21.5788	-27.9276	-22.2887	-30.6386							4		-9.1756	-6.0127		-10.3706

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080949

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	1
RatioLC50	=	12.1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：retinoid X nuclear receptor alpha [Homo sapiens]

External ID: RXRN10

Protocol: NCGC Assay Protocol Summary

Using a beta-lactamase reporter-gene under control of Retinoid X receptor--alpha (RXR-alpha) response element, a cell-based assay [GeneBLAzer (RXR-alpha -UAS-bla assay developed by Invitrogen] was used to measure RXR-alpha ligands signaling. GeneBLAzer RXR-alpha -UAS-bla HEK293T cells were used with assay medium containing 2% charcoal-stripped FBS. The assay was performed in clear bottom black Greiner 1536-well plates. Library compounds were measured for their ability to inhibit the reporter gene activity. Compounds were screened in a titration series in 1536-well format. The fluorescence intensity (405 nm excitation, 460/530 nm emission) was measured using an EnVision plate reader. Data was normalized relative to 9-cis-retinoic acid control (500 nM, 100%), and DMSO only wells (basal, 0%). Concentration-response titration points for each compound were fitted to the Hill equation yielding concentrations of half-maximal inhibition (IC50) and maximal response (efficacy) values.

qHTS protocol for RXR-alpha beta-lactamase assay in antagonist mode

[Step] [Parameter] [Value] [Description]
1. Reagent; 5 uL; 2500 cells/well
2. Incubation; 37 C for 4 hrs
3. Compounds; 23 nL; 0.59 nM to 92 uM
4. Controls (DMSO); 23 nL
5. Agonist (Stimulator); 1uL; 9-cis-retinoic acid at 500 nM and 100 nM final concentrations
6. Incubation; 37 C for 18 hrs
7. Detection reagent; 1 uL of CCF4-dye
8. Incubation; RT for 2 hrs
9. Detection; Fluorescence; Envision plate reader

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, active compounds are expected to have the inhibitor phenotype and apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype	Potency	Efficacy	W460-Curve_Description	W460-Fit_LogAC50	W460-Fit_HillSlope	W460-Fit_R2	W460-Fit_InfiniteActivity	W460-Fit_ZeroActivity	W460-Fit_CurveClass	W460-Excluded_Points	W460-Max_Response	W460-Activity at 0.0004334456 uM	W460-Activity at 0.00130 uM	W460-Activity at 0.00387 uM	W460-Activity at 0.00490 uM	W460-Activity at 0.012 uM	W460-Activity at 0.035 uM	W460-Activity at 0.057 uM	W460-Activity at 0.106 uM	W460-Activity at 0.314 uM	W460-Activity at 0.650 uM	W460-Activity at 0.961 uM	W460-Activity at 2.843 uM	W460-Activity at 4.858 uM	W460-Activity at 8.490 uM	W460-Activity at 25.15 uM	W460-Activity at 36.32 uM	W460-Activity at 76.71 uM	Ratio-Curve_Description	Ratio-Fit_LogAC50	Ratio-Fit_HillSlope	Ratio-Fit_R2	Ratio-Fit_InfiniteActivity	Ratio-Fit_ZeroActivity	Ratio-Fit_CurveClass	Ratio-Excluded_Points	Ratio-Max_Response	Ratio-Activity at 0.0004334456 uM	Ratio-Activity at 0.00130 uM	Ratio-Activity at 0.00387 uM
Inhibitor	2.5119	80.2312	Complete curve; partial efficacy	-5.5	4.9549	0.961	-66.8813	-5.9387	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-63.8316		-13.3873	-10.8506	-4.5195	-3.5205	-9.8179	-5.9327	-5.9413	-10.3747	8.7038	-0.8079	-37.9496	-67.8388		-62.8726	-70.6833	-63.8316	Complete curve; high efficacy	-5.6	4.5045	0.9026	-93.0352	-12.804	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-75.5093		-7.6621	-20.4066
Inhibitor	3.9811	118.1904	Complete curve; partial efficacy	-5.4	2.4729	0.9786	-57.3864	0.3853	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-54.7345		-1.3626	1.6162	0.0332	-4.6236	1.8698	0.3918	-3.2595	9.432	2.2841	-6.5087	-18.4554	-46.9549		-52.3977	-61.7155	-54.7345	Complete curve; high efficacy	-5.4	1.8617	0.9819	-120.147	-1.9565	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-118.6437		10.0069	-8.7399
Inhibitor	2.2387	78.2889	Complete curve; partial efficacy	-5.3	2.0937	0.9109	-57.9555	-0.1327	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 1 0	-56.0008		0.9339	9.7397	-5.0935	-8.1972	-10.5374	-7.4972	9.0736	2.7772	3.8238	2.3306	-21.2673	-34.7017		-56.5872	-29.704	-56.0008	Complete curve; high efficacy	-5.65	1.8265	0.9299	-87.8416	-9.5526	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 1 0	-73.7969		0.7571	-11.7075
Inhibitor	2.5119	67.3142	Complete curve; partial efficacy	-5.65	3.9295	0.9491	-42.1184	-8.3426	-1.2	1 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-38.3012		-20.538	-4.6581	-4.7864	-7.9959	-11.8496	-15.2297	-11.141	-6.0666	-6.4026	-11.2021	-36.4211	-47.1868		-37.7039	-43.5283	-38.3012	Complete curve; high efficacy	-5.6	1.4641	0.9676	-78.5797	-11.2655	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-70.8668		-4.2241	-14.9822
Inhibitor	3.1623	72.3536	Complete curve; partial efficacy; poor fit	-5.15	1.6266	0.8974	-45.2332	-2.5977	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-40.7559		-11.9417	1.3226	-1.2884	-4.9665	-0.4019	-4.847	-6.8598	-3.4305	3.8247	4.9492	-14.7439	-26.2246		-29.9647	-46.0276	-40.7559	Complete curve; high efficacy	-5.5	2.4064	0.9032	-83.7679	-11.4143	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-84.8927		-13.0402	-23.7905
Inhibitor	6.3096	103.4313	Complete curve; partial efficacy	-5.1	2.2526	0.9767	-68.2996	-5.051	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-65.0601		-5.9304	-5.2937	-10.3214	-3.2828	-11.6072	-7.1311	-8.1422	-2.4412	1.9272	-3.3547	-6.9105	-32.4506		-57.5719	-68.583	-65.0601	Complete curve; high efficacy	-5.2	2.4064	0.9581	-102.8403	0.591	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-100.2974		0.0958	-3.1351
Inhibitor	5.6234	100.7593	Complete curve; high efficacy; poor fit	-5.2	2.7202	0.877	-118.5172	5.5611	-1.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-108.5381	2.3189		38.2775		29.3126	2.927	-15.2933	-1.9364	-4.6486	-21.2237	-9.3		23.1924	-89.2929	-111.5394	-120.6116	-108.5381	Complete curve; high efficacy	-5.25	3.132	0.9033	-77.9998	22.7594	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-51.6467	5.1203		23.9782
Inhibitor	8.9125	78.0161	Complete curve; partial efficacy	-4.95	4.9549	0.9444	-60.6591	-10.6762	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-54.8059		-17.2559	-4.9891	-9.2273	-19.1771	-10.2947	-14.6803	-11.7488	-4.0211	-11.7276	-8.6741	-10.7913	-11.6341		-51.2321	-67.5304	-54.8059	Complete curve; high efficacy	-5.05	4.9549	0.9687	-98.3963	-20.3802	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-89.2813		-13.3593	-20.4037
Inhibitor	7.0795	95.1718	Complete curve; partial efficacy	-5.1	2.4064	0.9659	-66.8408	-3.955	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-64.6823		-11.3756	-4.521	0.7942	-5.0067	-4.8929	-9.1594	-3.0807	-6.3531	-2.1868	-4.227	3.0162	-31.5845		-57.4983	-66.534	-64.6823	Complete curve; high efficacy	-5.15	4.9549	0.9358	-101.066	-5.8942	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-81.2505		-8.8543	-13.9489
Inhibitor	8.9125	89.0242	Complete curve; partial efficacy	-4.95	1.8265	0.9665	-56.1362	-5.3554	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-52.791		-8.3362	-8.6941	-7.1989	-10.0343	-2.6772	0.5234	-1.9707	-6.532	-8.4719	-1.7104	-9.9869	-21.897		-36.0261	-53.0302	-52.791	Complete curve; high efficacy	-5.05	1.331	0.9571	-97.9042	-8.8799	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-84.1347		0.029	-15.0041
Inhibitor	7.9433	67.9119	Complete curve; partial efficacy; poor fit	-4.9	1.2475	0.7817	-38.009	1.6913	-1.4	1 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-32.8101		-12.345	2.0653	9.8324	-9.0248	5.6583	-0.5642	-2.4361	-2.6272	2.2664	10.9101	-8.2727	-18.1553		-10.8943	-35.2648	-32.8101	Complete curve; high efficacy	-5.1	2.4064	0.98	-83.6298	-15.7179	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 1 0 0	-79.0785		-12.7989	-21.6059
Inhibitor	14.1254	66.3829	Partial curve; partial efficacy; poor fit	-4.75	0.8	0.7494	-64.6043	-5.75	-2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-43.6081		-16.8559	-11.9164	0.5378	-14.5936	-14.4029	-9.8598	-16.8444	-2.8264	-8.6882	-10.017	-19.6283	-18.8631		-29.6276	-56.9619	-43.6081	Complete curve; high efficacy	-4.85	2.7202	0.9438	-86.9764	-20.5935	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-79.417		-14.7744	-24.805
Inhibitor	14.1254	77.4836	Complete curve; partial efficacy	-4.9	1.6266	0.9696	-63.1754	-9.5356	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-58.4795		-14.6087	-11.3558	-3.3524	-12.6762	-6.507	-9.9515	-9.4412	-12.0306	-5.6456	-8.3837	-16.663	-22.6651		-39.6985	-57.1831	-58.4795	Complete curve; high efficacy	-4.85	3.5722	0.9917	-99.5006	-22.0169	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-100.4866		-20.0627	-23.8182
Inhibitor	12.5893	117.6649	Complete curve; high efficacy	-4.8	4.9549	0.9625	-151.9032	3.3541	-1.1	0 0 0 0 0 0 0 0 0 0 0 0	-147.549	14.0819	-2.4988	-19.3542		1.2245	12.4848		20.1553	-13.1391		11.7404	4.5877		-0.9208	-143.5101		-147.549	Complete curve; high efficacy	-4.9	4.5045	0.9607	-115.1583	2.5066	-1.1	0 0 0 0 0 0 0 0 0 0 0 0	-111.3456	11.0818	5.0132	-18.4697
Inhibitor	17.7828	86.1235	Complete curve; partial efficacy; poor fit	-4.6	4.9549	0.8091	-62.2566	-6.7587	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-56.0351		-16.4957	-9.5409	-9.3857	-15.1916	-12.5672	-14.4889	-16.5681	-9.8088	-12.8134	10.0889	2.2039	0.2518		-5.5293	-57.4982	-56.0351	Complete curve; high efficacy	-4.75	3.132	0.9096	-90.4706	-4.3471	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-79.142		6.0057	-5.3502
Inhibitor	17.7828	76.553	Complete curve; partial efficacy; poor fit	-4.8	0.9	0.8354	-52.0125	-2.8156	-1.4	1 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-40.9875		-22.7185	-3.3697	6.8189	-8.4094	-11.7023	-0.0452	-10.3162	5.444	-1.2289	-9.9754	-16.2372	-18.1		-20.3941	-41.3373	-40.9875	Complete curve; high efficacy	-4.75	1.8851	0.9578	-87.8354	-11.2824	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-87.3727		-5.7828	-19.2831
Inhibitor	2.2387	68.3643	Complete curve; high efficacy	-4.95	4.9549	0.9426	-138.9625	-14.4621	-1.1	0 0 0 1 0 0 0 0 0 0 0 0 0 0	-133.2842	-31.2677		-20.9361		-15.3014	-62.0006	-17.3706	-42.2304	-19.2976	-0.2094	4.1127		-10.8318	-17.5713	-130.6325	-140.5082	-133.2842	Complete curve; partial efficacy	-5.65	4.9549	0.9639	-64.5165	3.8478	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-60.1965	5.574		2.2492
Inhibitor	2.2387	65.5993	Complete curve; partial efficacy; poor fit	-5.8	1.1	0.86	-45.9272	-12.973	-1.4	0 1 0 0 0 0 0 0 0 0 0 0 0 0 0	-43.607		-7.4775	-25.9874	-17.2217	-21.6696	-12.125	-13.6459	-17.0043	-25.7328	-18.4641	-19.9192	-40.561	-45.2712		-40.3486	-46.1893	-43.607	Complete curve; partial efficacy	-5.65	1.4641	0.9431	-66.5559	-0.9566	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-70.6535		13.9125	-12.175
Inhibitor	8.9125	58.8236	Complete curve; high efficacy; poor fit	-4.75	0.5	0.7733	-135.7989	-11.1776	-1.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-104.5115	-14.724		-0.6604		-1.0321	-33.5641	-40.1622	-48.0843	-37.9203	-26.2304	-21.4025		-35.8666	-53.4199	-66.3865	-102.3454	-104.5115	Complete curve; partial efficacy	-5.05	1.331	0.9603	-70.0338	-11.2103	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-60.9755	-9.9876		-9.4343
Inhibitor	10	65.18	Complete curve; partial efficacy	-5.05	2.7202	0.9575	-43.3081	-9.4524	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-40.467		-6.7137	-6.8159	-13.014	-10.9569	-6.2104	-7.6396	-9.186	-10.6096	-15.2426	-8.9471	-13.0755	-19.1169		-40.4311	-43.1734	-40.467	Complete curve; partial efficacy	-5	4.4495	0.9874	-68.2156	-3.0356	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-65.664		-1.8549	-4.6035

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080950

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	0.8
RatioLC50	>	2780

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：thyroid hormone receptor beta [Homo sapiens]

External ID: TRBN10

Protocol: NCGC Assay Protocol Summary

Using a beta-lactamase reporter-gene under control of the TR response element, a cell-based assay [GeneBLAzer TR-UAS-bla-GripTite assay developed by Invitrogen] was used to measure TR-beta signaling in antagonist mode. TR-UAS-bla-GripTite HEK 293 cells were used with assay medium containing 2% charcoal/dextran FBS, 0.1 mM NEAA and 1 mM sodium pyruvate. The assay was performed in clear bottom black Greiner 1536-well plates. Library compounds were measured for their ability to inhibit the reporter gene activity. Compounds were screened in a titration series in 1536-well format. The fluorescence intensity (405 nm excitation, 460/530 nm emission) was measured using an EnVision plate reader. Data was normalized relative to T3 control (10.4nM, 100%), and DMSO only wells (basal, 0%). Concentration-response titration points for each compound were fitted to the Hill equation yielding concentrations of half-maximal inhibition (IC50) and maximal response (efficacy) values.

qHTS protocol for TR-beta beta-lactamase assay in antagonist mode

[Step] [Parameter] [Value] [Description]
1. Reagent; 5 uL; 2500 cells/well
2. Incubation; 37 C for 4 hrs
3. Compounds; 23 nL; 0.59 nM to 92 uM
4. Controls (DMSO); 23 nL
5. Agonist (Stimulator); 1uL; T3 at 0.4nM (final) concentrations
6. Incubation; 37 C for 18 hrs
7. Detection reagent; 1 uL of CCF4-dye
8. Incubation; RT for 2 hrs
9. Detection; Fluorescence; Envision plate reader

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, active compounds are expected to have the inhibitor phenotype and apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype	Potency	Efficacy	W460-Curve_Description	W460-Fit_LogAC50	W460-Fit_HillSlope	W460-Fit_R2	W460-Fit_InfiniteActivity	W460-Fit_ZeroActivity	W460-Fit_CurveClass	W460-Excluded_Points	W460-Max_Response	W460-Activity at 0.0004332835 uM	W460-Activity at 0.00130 uM	W460-Activity at 0.00388 uM	W460-Activity at 0.00491 uM	W460-Activity at 0.012 uM	W460-Activity at 0.035 uM	W460-Activity at 0.057 uM	W460-Activity at 0.105 uM	W460-Activity at 0.315 uM	W460-Activity at 0.650 uM	W460-Activity at 0.956 uM	W460-Activity at 2.842 uM	W460-Activity at 4.858 uM	W460-Activity at 8.495 uM	W460-Activity at 25.28 uM	W460-Activity at 36.32 uM	W460-Activity at 76.68 uM	Ratio-Curve_Description	Ratio-Fit_LogAC50	Ratio-Fit_HillSlope	Ratio-Fit_R2	Ratio-Fit_InfiniteActivity	Ratio-Fit_ZeroActivity	Ratio-Fit_CurveClass	Ratio-Excluded_Points	Ratio-Max_Response	Ratio-Activity at 0.0004332835 uM	Ratio-Activity at 0.00130 uM	Ratio-Activity at 0.00388 uM
Inhibitor	5.0119	95.8634	Complete curve; high efficacy	-5.2	4.095	0.9231	-91.9598	10.6481	-1.1	0 0 0 0 0 0 0 0 0 1 1 0 0 0	-93.2709	22.4465		17.473		39.8308	2.5943	3.1947	-13.3684	-2.3969	16.6286	10.3537		-68.8096	-19.264	-90.3323	-89.9239	-93.2709	Complete curve; high efficacy	-5.3	4.4495	0.9695	-110.4981	-14.6347	-1.1	0 0 0 0 0 0 0 0 0 1 1 0 0 0	-104.7093	-3.052		-19.5457
Inhibitor	5.6234	106.7303	Complete curve; high efficacy	-5.4	1.4641	0.9324	-130.4357	-10.7591	-1.1	0 0 0 0 0 0 0 0 0 1 1 0 0 0	-124.6321	-13.6661		-35.5415		17.4244	0.1449	-12.4453	-20.7509	-3.8417	-33.4566	-28.2259		-120.6861	-48.1874	-123.1127	-126.0305	-124.6321	Complete curve; high efficacy	-5.25	4.9549	0.9739	-102.3474	4.3829	-1.1	0 0 0 0 0 0 0 0 0 1 1 0 0 0	-96.5	-4.5		17.5
Inhibitor	8.9125	79.3995	Complete curve; partial efficacy; poor fit	-4.95	4.9549	0.8255	-67.6414	13.8209	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-65.3853		15.0877	25.2616	20.0836	31.0331	-13.1009	14.4252	29.4896	23.2169	8.6542	-11.3165	-4.6924	22.0954		-65.3216	-60.326	-65.3853	Complete curve; high efficacy	-5.05	4.9549	0.9027	-86.654	-7.2545	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-67.2041		-12.0994	-15.752
Inhibitor	15.8489	98.8818	Partial curve; high efficacy	-4.75	0.9	0.9065	-145.9456	-7.2489	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-127.6621		-5.2878	17.3151	7.8895	-8.9989	-22.3879	-20.2652	-19.0375	-15.3252	-6.2839	-26.791	-43.9687	-42.0303		-59.3907	-95.071	-127.6621	Complete curve; high efficacy	-4.8	1.9282	0.9509	-94.7419	4.1399	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-93.7369		7.078	7.7403
Inhibitor	28.1838	99.4461	Complete curve; high efficacy	-4.6	4.095	0.9018	-84.0049	10.8219	-1.1	0 0 0 0 0 0 0 0 0 0 1 1 0 0	-85.6673	-3.2504		17.8627		-4.5832	28.247	5.3391	16.1446	20.8132	-0.8354	3.6328		26.4064	49.2099	60.6426	-66.5567	-85.6673	Complete curve; high efficacy	-4.55	4.9549	0.9158	-102.0618	-2.6158	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-94.6427	-5.3085		6.3391
Inhibitor	6.3096	60.5829	Partial curve; high efficacy; poor fit	-4.4	0.9	0.6074	-107.0462	-47.7527	-2.3	0 0 0 0 0 0 0 0 0 1 0 0 0 0 0	-85.0875		-39.5717	-35.6763	-55.8762	-53.393	-55.3639	-58.075	-63.4991	-52.4122	-38.6134	-13.2881	-58.7681	-43.8329		-64.3196	-82.5782	-85.0875	Complete curve; partial efficacy	-5.2	1.8851	0.9026	-59.2576	1.3253	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-65.0791		-9.4551	0.218
Inhibitor	39.8107	117.6616	Complete curve; partial efficacy; poor fit	-4.55	4.9549	0.7808	-77.5166	-8.2224	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-73.2545		-5.2347	8.97	-18.1053	-21.8176	-18.5422	3.5528	-19.3763	-11.7191	-5.762	-7.8378	-26.8314	-5.3882		6.0767	-64.807	-73.2545	Partial curve; high efficacy	-4.4	2.2481	0.9421	-108.2104	9.4513	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-90.1753		3.3208	20.6103
Inhibitor	22.3872	102.3768	Complete curve; high efficacy; poor fit	-4.6	4.9549	0.8494	-104.9928	12.7537	-1.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-99.303		15.453	30.5184	-2.6078	13.2433	11.566	12.3344	15.6439	3.2816	-6.8881	16.5298	-18.8668	42.4048		23.3892	-88.5247	-99.303	Partial curve; high efficacy	-4.65	4.9549	0.912	-101.2738	1.103	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-59.7874		-9.2323	-4.0546
Inhibitor	28.1838	105.0105	Partial curve; partial efficacy	-4.5	1.3437	0.9275	-81.3058	29.9244	-2.2	0 0 0 1 0 0 0 0 1 0 0 0 0 0 0	-58.8488		31.6528	34.2341	27.8388	49.6671	48.0239	21.2821	17.662	36.2036	81.6649	30.0881	15.4238	19.5196		-2.7517	-27.6954	-58.8488	Partial curve; high efficacy	-4.55	3.0654	0.9567	-101.1589	3.8517	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-96.6794		7.4084	-10.9172
Inhibitor	70.7946	130.6211	Single point of activity	-4.15	1.9673	0.5365	-118.6965	3.7614	-3	0 0 0 0 1 0 0 0 0 0 0 0 0 0	-88.4653	-2.4269		-6.104		7.9062	36.9164	57.5243	-31.7007	6.8405	4.5986	9.4661		19.2341	-9.2576	-18.7411	11.534	-88.4653	Single point of activity	-4.15	2.2526	0.7015	-134.0265	-3.4054	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-102.2292	-8.8558		-19.1383
Inhibitor	50.1187	63.5909	Single point of activity	-4.15	2.3332	0.5089	-87.384	7.6199	-3	0 1 0 0 0 0 0 0 0 0 0 0 0 0	-64.6864	-9.8043		128.6652		28.1915	11.3997	32.9164	8.7608	-20.7693	10.3953	6.2344		-6.6882	-3.3123	9.8699	14.1283	-64.6864	Single point of activity	-4.3	3.99	0.7756	-56.5909	7	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-65.2273	18.4591		21.5
Inhibitor	50.1187	77.0152	Partial curve; high efficacy; poor fit	-4.4	2.4064	0.678	-118.9801	-10.7167	-2.3	0 1 0 0 0 0 0 0 0 0 0 0 1 0	-100.4897	-0.4652		62.7379		-15.2202	6.6776	-11.9775	-25.0754	-27.1318	-27.3756	-48.4806		1.1033	6.3057	-27.2308	35.6276	-100.4897	Partial curve; high efficacy; poor fit	-4.3	4.4495	0.7367	-88.2187	-11.2035	-2.3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-104.6364	-10.7695		-17.8
Inhibitor	63.0957	114.215	Single point of activity	-4.3	2.7202	0.6551	-47.6498	30.0371	-3	1 0 1 1 0 0 0 0 0 0 0 0 0 0	-48.3395	18.3283		55.2366		104.6179	88.6825	51.4606	26.6458	22.8629	31.7019	8.89		14.6724	34.9346	13.1439	18.2006	-48.3395	Single point of activity	-4.2	2.2526	0.7447	-114.1675	0.0476	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-86.8458	9.7462		-1.7913
Inhibitor	28.1838	78.0918	Partial curve; partial efficacy; poor fit	-4.9	1.4487	0.8196	-63.6979	41.8775	-2.4	0 0 1 0 0 0 0 0 0 0 0 0 0 0	-54.8265	54.3501		84.7653		81.1116	20.8426	26.8623	34.2468	49.962	18.8714	41.2147		23.4069	17.3673	-32.3912	-43.8334	-54.8265	Complete curve; partial efficacy; poor fit	-4.55	4.9549	0.8993	-81.5016	-3.4098	-1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-79.168	-3.1193		-14.5498
Inhibitor	44.6684	73.7147	Single point of activity	-5	2.7868	0.8212	-55.055	27.7801	-3	0 0 0 0 0 0 0 0 0 0 0 1 1 0	-53.3791	24.3959		41.4069		34.0903	3.3215	43.0213	14.2316	28.7477	32.0224	22.5396		32.3662	-5.2635	73.0527	45.9113	-53.3791	Single point of activity	-4.35	3.99	0.8239	-67.8329	5.8819	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-75.7695	3.3977		0.6305
Inhibitor	50.1187	71.7191	Partial curve; partial efficacy; poor fit	-4.45	1.6924	0.7218	-78.4803	0.4724	-2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-63.7221	-8.1166		12.5055		8.0525	26.5537	-8.8384	-5.2671	-14.774	-10.1645	-0.698		-2.9448	9.0405	-29.7867	-34.5255	-63.7221	Partial curve; partial efficacy; poor fit	-4.3	1.8851	0.7358	-75.0465	-3.3275	-2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-65.8002	-12.7174		8.0543
Inhibitor	44.6684	79.4547	Partial curve; high efficacy; poor fit	-4.35	3.132	0.7847	-84.4517	15.4321	-2.3	0 0 0 0 0 1 0 0 1 0 0 0 0 0	-80.6645	25.1444		42.7922		-4.026	-7.2314	11.416	-27.6777	10.6673	18.8338	-24.8083		35.6415	6.887	7.0442	-20.2813	-80.6645	Partial curve; partial efficacy; poor fit	-4.35	3.132	0.8696	-74.9153	4.5395	-2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-69.8636	5.013		-0.3
Inhibitor	28.1838	103.7673	Partial curve; partial efficacy; poor fit	-4.5	4.9549	0.7784	-73.6356	25.9042	-2.4	0 1 1 0 0 0 0 0 0 0 0 0 0 0	-75.9341	3.8354		86.1395		65.9377	39.2329	9.2118	9.3983	26.0886	-0.2372	53.5868		52.4065	32.0914	27.7021	-41.0356	-75.9341	Single point of activity	-4.55	4.9549	0.934	-100.9727	2.7946	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 1	57.3393	-0.7695		10.2848
Inhibitor	50.1187	57.0589	Single point of activity	-4.3	2.2526	0.6381	-54.5847	-3.6276	-3	1 1 1 0 0 0 1 0 0 0 0 0 0 0	-51.0102	-2.1139		86.2612		67.0588	-8.0673	-2.0231	15.266	40.2825	-12.8722	-1.8824		-16.7384	-0.9837	-12.8945	-9.2004	-51.0102	Single point of activity	-4.3	3.99	0.6879	-49.5589	7.5	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-58.3241	10.7763		2.0759
Inhibitor	50.1187	78.3983	Single point of activity	-4.3	3.5117	0.6287	-87.1606	11.5935	-3	1 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-95.3663		-36.3111	-11.2016	21.6105	40.1997	16.3301	-7.097	41.0282	-2.2276	9.5955	30.435	13.1687	-26.852		6.5403	6.0967	-95.3663	Single point of activity	-4.3	4.4495	0.841	-72.3203	6.078	-3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-85.5919		4.866	-4.3997

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080951

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	105
RatioLC50	>	2780

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080952

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	2.7
RatioLC50	=	2

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3082362

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	4.4
RatioLC50	=	1.4
RatioLC50	=	2.9

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3082363

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	0.5
RatioLC50	=	2.3
RatioLC50	=	2.4

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3082364

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	>	1515
RatioLC50	=	0.9
RatioLC50	=	0.4

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080914

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	1.1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Bombus terrestris

External ID: CHEMBL3083251

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2010
Volume: 66
Issue: 7
First Page: 786
Last Page: 793
DOI: 10.1002/ps.1943

Target ChEMBL ID: CHEMBL2367044
ChEMBL Target Name: Bombus terrestris
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Activity Comment
Activity	Active

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080915

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	1.2

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080916

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	6.9

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080441

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	1.5

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080442

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	1.1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080443

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	5.6

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080444

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	0.5
RatioLC50	=	1.4

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080445

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	1.6
RatioLC50	=	1.1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080446

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value
RatioLC50	=	1.7
RatioLC50	=	2.26

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080447

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	484	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：NCGC 靶标：pregnane X nuclear receptor [Homo sapiens]

External ID: PXR192

Protocol: Assay Protocol Summary:

DPX-2 cells were dispensed into white wall/solid-bottom 1536-well plates at 2,000 cells in 5uL/well with assay medium using a Multidrop Combi (ThermoFisher Scientific, Waltham, MA) dispenser. Plates were incubated at 37C and 5% CO2 for 5 hr before transferring 23 nL of compounds from the libraries and positive control via pin tool (Kalypsys, San Diego, CA). The plates were incubated for 24 hr at 37C and 5% CO2. Then 5 ul One-Glo reagent (Promega, Madison, WI) was added to each plate and following 30 min incubation at room temperature, luciferase activity was quantified on a ViewLux (PerkinElmer, Shelton, CT) plate reader.

Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent activators are ranked higher than compounds that showed apparent inhibition.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.

Phenotype-Replicate_1	Potency-Replicate_1	Efficacy-Replicate_1	Activity_Score-Replicate_1	Curve_Description-Replicate_1	Fit_LogAC50-Replicate_1	Fit_HillSlope-Replicate_1	Fit_R2-Replicate_1	Fit_InfiniteActivity-Replicate_1	Fit_ZeroActivity-Replicate_1	Fit_CurveClass-Replicate_1	Excluded_Points-Replicate_1	Max_Response-Replicate_1	Activity at 0.00156 uM-Replicate_1	Activity at 0.00466 uM-Replicate_1	Activity at 0.00590 uM-Replicate_1	Activity at 0.014 uM-Replicate_1	Activity at 0.042 uM-Replicate_1	Activity at 0.068 uM-Replicate_1	Activity at 0.127 uM-Replicate_1	Activity at 0.378 uM-Replicate_1	Activity at 0.782 uM-Replicate_1	Activity at 1.156 uM-Replicate_1	Activity at 3.420 uM-Replicate_1	Activity at 5.843 uM-Replicate_1	Activity at 30.24 uM-Replicate_1	Activity at 43.68 uM-Replicate_1	Activity at 92.27 uM-Replicate_1	Compound QC-Replicate_1
Inactive			0			3.132	0.7976	10	-8.4437	4	0 0 0 0 1 0 0 1 0 0 0 0 0 0 0	8.9507	-10.5835	-10.1907	-8.5285	-7.7331	3.7575	-10.762	-6.5066	1.2159	-1.6493	-10.7864	-10.275	-8.608	-7.1039	-2.5176	8.9507	QC'd by "SigmaAldrich"
Activator	70.7946	77.5719	10	Single point of activity	-4.15	3.132	0.8574	69.9039	-7.668	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	53.5997	-11.6413	-8.7513	-9.7107	-3.8798	-13.3461	-2.0415	-5.2572	1.2112	-2.2118	-7.1662	-4.6649	-11.7093	-10.9764	-10.2709	53.5997	QC'd by "SigmaAldrich"
Inactive			0							4		-9.4236	-11.9881	-2.1646	-8.0009	-1.7057	-17.4934	-14.2091	-7.0296	1.1054	-17.6132	-0.9116	-10.0185	5.7134	-13.9383	0	-9.4236	QC'd by "SigmaAldrich"
Inactive			0		-4.15	2.4064	0.8256	38	-4.8599	4	0 0 0 0 0 0 1 0 0 1 0 0 0 0 0	28.4266	0.0979	-5.9328	-2.1118	-3.3104	-10.2999	-8.6122	12.6052	-3.0762	-7.9725	11.3072	-4.5599	-0.5106	-2.7963	-3.1653	28.4266	QC'd by "SigmaAldrich"
Activator	3.9811	56.5774	22	Complete curve; partial efficacy	-5.4	3.5722	0.9487	54.8762	-1.7012	1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 1 1	-5.5633	9.0922	-6.3259	0.9582	6.6063	-3.324	-7.251	-5.3672	-5.0843	-2.3347	-1.3608	23.6565	50.255	55.4293	103.95	-5.5633	QC'd by "SigmaAldrich"
Activator	44.6684	259.6366	42	Partial curve; high efficacy	-4.35	0.9	0.9012	270.1554	10.5189	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	208.5795	-1.6777	5.7151	7.1665	-1.9532	9.6757	-8.4128	6.7227	31.9472	55.592	37.1369	39.2431	50.1906	87.3019	106.0553	208.5795	QC'd by "SigmaAldrich"
Inactive			0		-5.1	1.4163	0.9735	68.1855	-9.0516	4	1 0 0 0 0 0 0 0 0 1 0 0 0 1 1	-12.9059	18.2278	-6.3188	-9.4715	-8.3278	-11.2797	-4.7049	-9.7692	-12.1263	-6.0476	36.2157	14.1546	24.2875	53.386	19.6746	-12.9059	QC'd by "SigmaAldrich"
Inactive			0							4		1.6906	-1.1546	-11.5767	-9.4023	-11.5555	-2.8946	2.3279	-7.1471	-5.704	-14.3039	-1.2474	-11.6053	-7.0929	-9.8368	-5.3374	1.6906	QC'd by "DPISMR"
Inactive			0							4		-5.0308	-5.0844	-6.0255	4.7324	-7.2161	-6.8016	-3.1618	-1.4266	-6.4697	-6.2984	-0.0144	-1.0588	-6.2736	-1.3739	-0.4039	-5.0308	QC'd by "SigmaAldrich"
Inactive			0			4.9549	0.4059	4	-3.8591	4	0 0 0 0 0 1 0 0 0 0 0 1 0 0 0	4.2766	-3.4391	-7.4617	4.96	-7.0096	-5.1006	-16.2602	-3.6937	-2.68	0.9193	-9.8826	-4.0878	19.8818	6.9913	0	4.2766	QC'd by "SigmaAldrich"
Inactive			0							4		3.1322	-8.3885	-6.9224	-4.1927	-3.4512	-5.283	-4.6741	-0.3754	-3.6571	-9.3433	-6.9263	-6.9617	-7.5867	2.7777	-1.9507	3.1322	QC'd by "SigmaAldrich"
Activator	39.8107	103.8756	41	Partial curve; high efficacy	-4.4	3.5722	0.9742	100.1434	-3.7322	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	95.3554	-2.147	4.7757	-9.3289	-7.0658	-4.2344	-10.1768	-10.6165	2.0938	-0.2958	-1.6334	-8.5631	0.8268	1.8705	52.9795	95.3554	QC'd by "SigmaAldrich"
Activator	44.6684	82.7306	41	Partial curve; high efficacy	-4.35	3.5117	0.9416	80.074	-2.6566	2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	82.1522	-4.3659	-0.2426	-1.0794	-1.445	-5.1395	-7.2392	13.9951	-4.4153	-6.731	-3.1529	-6.7406	-4.3545	-1.0724	28.7991	82.1522	QC'd by "SigmaAldrich"
Activator	70.7946	44.0787	10	Single point of activity	-4.15	2.4064	0.865	40	-4.0787	3	0 0 0 0 0 0 0 0 0 0 1 0 0 0 0	31.1134	-4.87	-5.4935	-0.1297	-3.4143	-7.9822	-4.8601	-2.0161	-0.9796	-4.1768	1.2692	12.2661	-7.2001	-3.5729	-0.254	31.1134	QC'd by "SigmaAldrich"
Inactive			0							4		-0.0149	-3.0665	-4.9793	2.2762	-2.1874	5.2007	-7.0559	4.7267	-3.9153	-0.3912	3.4195	19.5353	-0.5469	5.3006	-2.2535	-0.0149	QC'd by "SigmaAldrich"
Activator	31.6228	176.7587	10	Single point of activity	-4.5	4.9549	0.9794	171.2009	-5.5578	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	63.4646	-9.8285	-6.7545	-5.8007	-10.0265	-4.8772	-8.6673	-9.1784	-5.9903	-5.6114	-3.6507	-5.9631	12.2667	6.261	133.8398	63.4646	QC'd by "SigmaAldrich"
Inactive			0		-4.15	3.9295	0.7126	38.0863	-5.1054	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	28.7629	-9.2693	-7.0653	4.2294	-11.3522	-0.7176	-5.9614	-0.9248	-9.7836	-10.0032	-5.7487	-0.7202	2.1548	-2.5285	-9.7011	28.7629	QC'd by "SigmaAldrich"
Inactive			0							4		1.1147	-2.2173	-7.969	-6.3	-9.3416	-12.0894	-11.6609	-10.5654	-4.981	-2.3484	-5.0203	-1.485	-3.6998	-8.4535	-7.0568	1.1147	QC'd by "SigmaAldrich"
Activator	31.6228	4908.2862	10	Single point of activity	-4.5	4.9549	0.9933	4878.0015	-30.2848	3	0 0 0 0 0 0 0 0 0 0 0 0 0 0 1	-6.0229	-2.4078	-8.912	-4.7617	-7.8171	-4.6975	-4.212	-5.2457	-6.8213	-2.4361	-6.1298	-1.1056	-3.9872	-1.3888	3909.1615	-6.0229	QC'd by "SigmaAldrich"
Inactive			0		-4.5	0.3	0.781	-22.0251	-0.8444	4	0 0 0 0 0 0 0 1 1 0 0 0 0 0 0	-10.5427	-1.0202	-0.7037	-3.3886	-3.4713	-5.5693	-0.876	-5.6317	13.447	22.4194	-7.222	-6.2488	-7.6178	-11.0026	-16.6876	-10.5427	QC'd by "SigmaAldrich"

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080448

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	450	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080449

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	79.4	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080450

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	782	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080451

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	1060	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080938

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	209	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3080939

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
LC50	=	12.4	ug.mL-1
LC50	=	8.3	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3082365

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	548	ug.mL-1
LC50	>	10000	ug.mL-1	Outside typical range

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3082366

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	10.2	ug.mL-1
LC50	>	10000	ug.mL-1	Outside typical range

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3057317

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	126	ug.mL-1
LC50	>	10000	ug.mL-1	Outside typical range

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3057318

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	11.2	ug.mL-1
LC50	=	43.4	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3057319

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	9.4	ug.mL-1
LC50	>	10000	ug.mL-1	Outside typical range

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3083693

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	1180	ug.mL-1
LC50	>	10000	ug.mL-1	Outside typical range

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3083694

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	30.5	ug.mL-1
LC50	=	7.3	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3083695

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
LC50	=	28.8	ug.mL-1
LC50	=	15.8	ug.mL-1
LC50	=	10.5	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3083696

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
LC50	=	3	ug.mL-1
LC50	=	26.5	ug.mL-1
LC50	=	8.7	ug.mL-1

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16

来源：ChEMBL 靶标：Tetranychus urticae

External ID: CHEMBL3083697

Protocol: N/A

Comment: Journal: Pest Manag Sci
Year: 2009
Volume: 65
Issue: 4
First Page: 404
Last Page: 412
DOI: 10.1002/ps.1705

Target ChEMBL ID: CHEMBL612378
ChEMBL Target Name: Tetranychus urticae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
LC50	>	10000	ug.mL-1	Outside typical range
LC50	=	10.7	ug.mL-1
LC50	=	1.6	ug.mL-1

57960-19-7 靶点实验数据