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

来源：ChEMBL 靶标：Carbonic anhydrase 12

External ID: CHEMBL1246743

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur. J. Med. Chem.
Year: 2010
Volume: 45
Issue: 9
First Page: 3656
Last Page: 3661
DOI: 10.1016/j.ejmech.2010.05.011

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0057	Ki	=	5.7	nM
0.0034	Ki	=	3.4	nM
0.113	Ki	=	113	nM
0.0318	Ki	=	31.8	nM
0.0346	Ki	=	34.6	nM
0.0325	Ki	=	32.5	nM

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

来源：NCGC 靶标：

External ID: SNCA-p-activity-luciferase

Protocol: PROTOCOL TABLE
SEQUENCE No. (e.g., 1, 2, 3, etc.); PARAMETER (e.g., Cells, Incubation, Reagent, etc.); VALUE; DESCRIPTION

1; Cells; 4 uL; Dispense 1500 HEK-293-SNCA-luc cells/well into Greiner 1536-well white / solid bottom tissue culture treated plate. The plate was covered with metal lids with gas-exchange holes.
2; Incubate; 24 hours; Incubate at 37C, 5% CO2, 95% RH.
3; Compounds; 23 nL; Compounds and controls were transferred via a Kalypsys Pin Tool (Wako USA) equipped with a 1536-slotted pin array. The plate was covered with metal lids with gas-exchange holes.
4; Incubate; 24 hours; Incubate at 37C, 5% CO2, 95% RH.
5; Dispense; 1 uL; Dispense Gly-Phe-7-amino-4-trifluoromethylcoumarin (GF-AFC, prepared at 125 uM in PBS) was added. The plate was covered with metal lids with gas-exchange holes.
6; Incubate; 30 min; Incubate at 37C, 5% CO2.
7; Detector; Fluorescence; Measure fluorescence with ViewLux microplate reader (PerkinElmer) equipped with 405/10 excitation and 540/25 emission filters.
8; Dispense; 3 uL; Dispense ONE-Glo (PerkinElmer) lucifase detection reagent was added to each well. Plates were covered with metal lids with gas-exchange holes.
9; Incubate; 15 min; Incubate at room temperature.
10; Detector; Luminescence; Measure luminescence with ViewLux microplate reader (PerkinElmer) equipped with clear filters.

NOTES (numbers refer to sequence above)
1; HEK-293-SNCA-luc were cultured and suspended in phenol-red free DMEM (4.5 g/L glucose, 25 mM HEPES, cat #21063 (Thermo)).
3; Compounds were added to the assay plate in an 11-point intra plate dose response, 1:3 titration in DMSO with a final concentration range of xxx - yyy uM. Vehicle-only plates, with DMSO being pin-transferred to every well, were inserted at the beginning of screening runs to confirm expected assay performance. Activity was normalized to wells containing medium only (-100% activity, full inhibition) and SNCA-luc cells treated with DMSO vehicle control (0% activity), contained on the same plate as test samples.
10; Signals were analyzed, and dose-response curves were fit using the Hill equation. Compounds in curve classes -1.1, -1.2, -2.1, -2.2 in the SNCA-luc assay were considered active. Compounds were eliminated from further consideration if also active (curve class -1.1, -1.2, -1.3, -1.4, -2.1, -2.2, -2.3, -2.4) in the GF-AFC cytotoxicity assay.

Comment: Disclaimer:
Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods.

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. For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, with a ratio activity curve class of 4, 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. For a ratio activity curve class = -1.1, score = 80+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 && abs(ratio.max_response) > 6*10, score = 60+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -2.1 || ( ratio.curve_class==-2.2 && abs(ratio.max_response) > 6*10), score = 40+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 || ratio.curve_class == -2.2, score = 20+abs((log_ac50+4.5)*inf_activity/20). Inconclusive compounds, with a donor curve class other than 4, have PUBCHEM_ACTIVITY_SCORE of 10. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39.

Phenotype	Potency	Efficacy	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.079 uM	Activity at 1.068 uM	Activity at 11.39 uM	Activity at 57.25 uM	Compound QC
Inactive				-6.75	4.9549	0.9727	0.0901	17.5	4	0 0 0 1	8.9408	15.9527	-1.5916	1.4969	8.9408	QC'd by Sytravon
Inactive				-5.3	4.095	0.9996	5.5	-7.7823	4	0 0 0 1	-11.1081	-7.5736	-7.7353	5.034	-11.1081	QC'd by Sytravon
Inactive				-5.15	4.9549	0.907	-15.9207	9.5	4	0 0 0 1	17.8725	5.2874	13.9021	-13.6839	17.8725	QC'd by Sytravon
Activator	35.4813	46.4095	Single point of activity	-4.45	2.5884	1	45.9404	-0.4691	3	1 0 0 0	35.593	40.1678	-0.3909	1.933	35.593	QC'd by Sytravon
Activator	39.8107	72.2646	Single point of activity	-4.4	4.9549	0.9515	68.1912	-4.0733	3	0 0 0 0	58.0117	5.8738	-9.2278	-8.5224	58.0117	QC'd by Sytravon
Activator	14.1254	45.3319	Partial curve; partial efficacy; poor fit	-4.85	2.4064	0.9982	40.7728	-4.5591	2.4	1 0 0 0	40.0933	-24.9557	-3.8845	11.5254	40.0933	QC'd by Sytravon
Inactive				-5.75	4.9549	0.9291	-20.6086	33.1545	4	1 0 0 0	-12.8464	45.4569	28.2161	-28.42	-12.8464	QC'd by Sytravon
Inactive				-4.35	4.9549	0.855	-24.2184	-0.5	4	0 0 0 0	-18.932	-3.6477	-2.409	4.988	-18.932	QC'd by Sytravon
Inactive				-4.7	3.6272	0.8625	15	-8.5523	4	0 0 0 0	14.477	-2.951	-13.7936	-5.9646	14.477	QC'd by Sytravon
Inactive				-6.7	4.9549	0.6637	3	-16.864	4	0 0 0 0	8.8169	-15.72	6.3794	-6.3599	8.8169	QC'd by Sytravon
Inactive				-4.75	2.4064	0.9999	21.5	-2.4101	4	1 0 0 0	20.2184	33.3778	-2.4251	3.5771	20.2184	QC'd by Sytravon
Inactive				-4.4	4.9549	0.8117	2.5	-8.345	4	0 0 0 0	1.096	-8.966	-5.5054	-11.1209	1.096	QC'd by Sytravon
Activator	39.8107	38.7945	Single point of activity	-4.4	4.9549	0.6241	41.7557	2.9612	3	0 0 0 0	36.2039	21.355	-6.3904	-4.5325	36.2039	QC'd by Sytravon
Inactive				-6.05	4.095	0.9994	-6.0518	20	4	0 0 0 1	20.5156	19.7377	1.4122	-6.2932	20.5156	QC'd by Sytravon
Inactive				-5.2	4.095	1	10.5	-10.1683	4	1 0 0 1	-15.9884	36.1362	-10.1402	8.7939	-15.9884	QC'd by Sytravon
Inactive				-6.5	1.3905	0.9999	-24.241	0.2745	4	0 0 0 1	-5.5981	-4.3546	-20.7587	-23.9509	-5.5981	QC'd by Sytravon
Inactive				-6.8	4.9549	0.711	-2.4459	21	4	0 0 0 0	-3.3453	17.3219	-9.9549	5.5495	-3.3453	QC'd by Sytravon
Activator	39.8107	47.809	Partial curve; partial efficacy; poor fit	-4.4	4.9549	0.5212	50.2399	2.4309	2.4	0 0 0 0	43.4722	30.2363	-10.9855	-11.5143	43.4722	QC'd by Sytravon
Activator	22.3872	75.5081	Partial curve; high efficacy; poor fit	-4.65	1.9673	0.9829	96.5324	21.0243	2.3	0 0 0 0	86.4985	26.0932	16.3365	36.2613	86.4985	QC'd by Sytravon
Inactive				-6.8	4.9549	0.7429	-1	-13.0738	4	0 0 0 0	1.8063	-11.3115	0.8702	-5.1757	1.8063	QC'd by Sytravon

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

来源：ChEMBL 靶标：Carbonic anhydrase 9

External ID: CHEMBL1246742

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur. J. Med. Chem.
Year: 2010
Volume: 45
Issue: 9
First Page: 3656
Last Page: 3661
DOI: 10.1016/j.ejmech.2010.05.011

Target ChEMBL ID: CHEMBL3594
ChEMBL Target Name: Carbonic anhydrase IX
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.025	Ki	=	25	nM
0.024	Ki	=	24	nM
0.068	Ki	=	68	nM
0.0101	Ki	=	10.1	nM
0.0058	Ki	=	5.8	nM
0.0097	Ki	=	9.7	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL1246741

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur. J. Med. Chem.
Year: 2010
Volume: 45
Issue: 9
First Page: 3656
Last Page: 3661
DOI: 10.1016/j.ejmech.2010.05.011

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.012	Ki	=	12	nM
0.015	Ki	=	15	nM
0.095	Ki	=	95	nM
0.106	Ki	=	106	nM
0.097	Ki	=	97	nM
0.108	Ki	=	108	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL1246740

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur. J. Med. Chem.
Year: 2010
Volume: 45
Issue: 9
First Page: 3656
Last Page: 3661
DOI: 10.1016/j.ejmech.2010.05.011

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.31	Ki	=	310	nM
0.031	Ki	=	31	nM
1.83	Ki	=	1830	nM
1.09	Ki	=	1090	nM
6.1	Ki	=	6100	nM
1.17	Ki	=	1170	nM

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

来源：824 靶标：

External ID: CYP273

Protocol: Tox21 Assay Protocol Summary:

Two ul of enzyme-substrate mix was dispensed into medium binding white/solid 1536-well plates (Greiner Bio-One North America Inc., Monroe, NC) using a BioRaptr Flying Reagent Dispenser (FRD, Beckman Coulter, Brea, CA). Compounds dissolved in DMSO and positive control (furafyllline) were transferred to the assay plates at 23 nl using a Pintool station (Wako, San Diego, CA). The assay plates were incubated at room temperature for 10 min. Then 2 ul of NADPH regeneration solution was added to each well of the assay plates using an FRD and incubated at room temperature for 1 h. The reaction was stopped by adding 4 ul of detection reagent using an FRD and after 20 min incubation at room temperature the luminescence signal was measured using a ViewLux plate reader (Perkin Elmer, Shelton, CT). Data were expressed as relative luminescence units.

Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (http://actor.epa.gov) and NTP (http://tools.niehs.nih.gov/cebs3/ui/).

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 0.0007781017 uM-Replicate_1	Activity at 0.00212 uM-Replicate_1	Activity at 0.00657 uM-Replicate_1	Activity at 0.017 uM-Replicate_1	Activity at 0.038 uM-Replicate_1	Activity at 0.085 uM-Replicate_1	Activity at 0.191 uM-Replicate_1	Activity at 0.435 uM-Replicate_1	Activity at 1.330 uM-Replicate_1	Activity at 4.074 uM-Replicate_1	Activity at 10.46 uM-Replicate_1	Activity at 23.64 uM-Replicate_1	Activity at 52.95 uM-Replicate_1	Activity at 115.2 uM-Replicate_1	Compound QC-Replicate_1	Phenotype-Replicate_2	Potency-Replicate_2	Efficacy-Replicate_2	Activity_Score-Replicate_2	Curve_Description-Replicate_2	Fit_LogAC50-Replicate_2	Fit_HillSlope-Replicate_2	Fit_R2-Replicate_2
Inactive			0					0	0	4		-3.5643		-2.3504	-2.9312	-2.3657	-2.8224	-2.6018	0.0394	2.8539	-0.9099	-0.8614	-3.0049	-2.5808	-0.7	-3.5643	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		-4.9449		-1.1401	-4.8828	1.7278	1.7167	-2.1117	-5.6964	0.3933	0.8939	0.1314	-2.7335	3.195	-4.9521	-4.9449	QC'd by SIGMA	Inactive			0
Inactive			0					0	0	4		2.7107		-2.1884	1.3985	1.4582	0.7693	-2.4787	1.52	2.8986	0.9702	-0.0253	2.1293	2.7766	1.539	2.7107	QC'd by Enamine	Inactive			0
Inactive			0					0	0	4		-2.1522		-2.3143	-3.894	-2.3698	3.0635	-2.9724	-0.698	1.807	-0.3874	-2.2387	0.0851	-4.1965	3.0171	-2.1522	QC'd by SIGMA	Inactive			0
Inactive			0		-4.3489	2.2526	0.8543	-15.2749	-1.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-14.3957		-1.8486	-1.8251	-1.3415	-0.2999	-5.8043	-1.4625	0.152	0.0394	-2.6869	-2.4228	-2.2664	-9.6519	-14.3957	QC'd by SIGMA	Inactive			0		-4.0989	2.1876	0.881
Inactive			0		-4.3989	1.3443	0.8661	-18.2112	-1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-16.0093		-2.3466	0.8145	0.3878	-0.5249	-2.2045	-0.0596	-0.3675	-2.1137	-2.5302	-0.6582	-8.8446	-8.7305	-16.0093	QC'd by Acros	Inactive			0		-4.1989	1.6266	0.9372
Inactive			0		-4.3713	1.331	0.7782	-33.4439	-3.503	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-29.5366	-4.0189	-0.7745	-2.4487	-0.7353	-13.4714	-1.9963	-2.0808	-1.5803	-2.9931	-5.0804	-13.0346	-7.2628	-16.8143	-29.5366	QC'd by LightBiologicals	Inactive			0		-4.3713	1.2221	0.9463
Inactive			0		-4.1489	1.6266	0.9461	-28.1716	-1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-20.143		-1.7608	-0.2388	0.2248	0.5264	-2.4986	-0.1313	-2.2365	-0.2423	-3.4362	-3.0971	-3.2181	-11.2156	-20.143	QC'd by Enamine	Inhibitor	79.6407	31.4916	10	Partial curve; partial efficacy; poor fit	-4.0989	2.5884	0.988
Inhibitor	79.6407	37.8784	10	Partial curve; partial efficacy; poor fit	-4.0989	2.3332	0.6037	-41.3784	-3.5	-2.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-31.1486		0.0477	-0.2424	-0.1109	-17.1482	-2.6043	0.0987	1.3021	-8.8121	-0.6811	-2.6079	-6.0005	-11.8578	-31.1486	QC'd by LightBiologicals	Inhibitor	70.9799	33.8113	10	Partial curve; partial efficacy; poor fit	-4.1489	1.4787	0.9532
Inactive			0		-4.1489	1.331	0.6595	-35.6335	-1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-26.3612		1.8269	-1.2651	2.0528	-1.3342	-1.1508	-1.3078	-0.329	-8.1235	0.9213	-0.3901	-8.3475	-13.4823	-26.3612	QC'd by LightBiologicals	Inhibitor	63.2609	40.7162	21	Partial curve; partial efficacy	-4.1989	1.5579	0.9889
Inhibitor	31.7055	100.2192	40	Partial curve; high efficacy	-4.4989	1.4163	0.9793	-102.2947	-2.0755	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-88.7975		1.5993	1.9578	-0.4182	-5.9156	-12.3257	-6.8125	0.6301	-0.9357	-7.8675	-21.9718	-39.1747	-68.2733	-88.7975	QC'd by SIGMA	Inhibitor	28.2576	108.4027	40	Partial curve; high efficacy	-4.5489	1.2475	0.9984
Inactive			0		-4.4489	1.5386	0.9285	-23.7863	1	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-21.4885		2.5819	2.144	-0.9228	1.5778	0.3813	-0.7273	-0.0178	0.4803	2.4385	-0.728	-9.9293	-11.8247	-21.4885	QC'd by SIGMA	Inactive			0		-4.3989	1.6259	0.9598
Inhibitor	9.3337	39.8967	21	Complete curve; partial efficacy	-5.0299	2.0437	0.9899	-39.8967	0	-1.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-36.3129	-0.2423	-0.4463	-0.2999	0.6478	0.3636	1.006	-0.4987	1.2825	-1.1546	-7.8589	-17.895	-35.8398	-36.3129		QC'd by LightBiologicals	Inhibitor	11.7504	56.3884	21	Partial curve; partial efficacy	-4.9299	1.111	0.9845
Inhibitor	31.7055	101.4573	40	Partial curve; high efficacy	-4.4989	1.111	0.9982	-102.7597	-1.3024	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-82.349		-1.7206	-3.1014	-1.0307	-0.462	-0.0614	-0.5481	-3.1286	-4.6801	-13.1432	-23.5612	-42.1146	-67.192	-82.349	QC'd by SIGMA	Inhibitor	25.1846	89.5091	40	Partial curve; high efficacy	-4.5989	1.3723	0.9943
Inactive			0		-4.3989	1.3723	0.9408	-30.7143	-1.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-27.2619		-3.9038	-4.2597	0.9522	0.2767	-0.086	-3.7725	-0.0863	-0.3476	-4.4856	-5.6587	-11.4378	-17.5999	-27.2619	QC'd by Enamine	Inactive			0		-4.3989	1.3723	0.9104
Inhibitor	0.02	91.5374	95	Complete curve; high efficacy	-7.6989	1.21	0.9985	-95.5053	-3.9679	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-96.9758		-10.1145	-26.2532	-42.3865	-67.4835	-79.9456	-90.8539	-91.593	-94.2489	-95.4721	-96.0956	-96.1267	-97.0582	-96.9758	QC'd by SIGMA	Inhibitor	0.1416	94.8402	91	Complete curve; high efficacy	-6.8489	1.21	0.9987
Inhibitor	70.9799	57.4014	21	Partial curve; partial efficacy	-4.1489	1.4641	0.9678	-60.4859	-3.0846	-2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-45.8227		-1.5241	-1.1304	-2.119	-3.4583	-2.7138	-4.9163	-1.3699	-5.0741	-7.7268	-8.2608	-10.3758	-24.1789	-45.8227	QC'd by TCI	Inhibitor	63.2609	59.3706	21	Partial curve; partial efficacy	-4.1989	1.8265	0.9826
Inhibitor	31.7055	88.4583	40	Partial curve; high efficacy	-4.4989	1.2475	0.9907	-90.0614	-1.6031	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-73.0646		-2.1792	-0.7242	-0.9217	-2.0267	-1.1711	-1.4022	-1.5555	-4.0648	-12.1704	-19.1709	-32.2561	-64.0802	-73.0646	QC'd by SIGMA	Inhibitor	31.7055	86.8385	40	Partial curve; high efficacy	-4.4989	1.111	0.9934
Inhibitor	7.098	99.9448	83	Complete curve; high efficacy	-5.1489	1.3443	0.9949	-102.6257	-2.681	-1.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-98.8687		-2.2636	-1.9377	-0.2674	-0.3864	-3.2139	-8.5636	-4.0834	-14.5383	-36.543	-60.2337	-91.3595	-96.848	-98.8687	QC'd by TCI	Inhibitor	5.6381	99.0727	84	Complete curve; high efficacy	-5.2489	1.6266	0.998
Inhibitor	14.1623	99.522	42	Partial curve; high efficacy	-4.8489	0.7	0.9894	-100.6417	-1.1197	-2.1	0 0 0 0 0 0 0 0 0 0 0 0 0 0 0	-88.2822		-1.4919	-2.9847	-0.2649	-1.6478	-3.8502	-2.8959	-7.6423	-18.6375	-36.1235	-44.1844	-53.91	-71.7844	-88.2822	QC'd by SIGMA	Inhibitor	17.8293	95.7742	81	Complete curve; high efficacy	-4.7489	1.21	0.9995

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

来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：Burkholderia multivorans

External ID: HMS1625

Protocol: The fix-reporter plasmid was conjugated into this strain which the stably integrates into the chromosome using the mini-Tn7 system (PMID: 15908923). This plasmid consists of the fixK promoter, which is a target of the fixLJ pathway driving expression of GFP.
The day before screen an overnight culture of B. multivorans strain VC7102, with fix reporter, is set up in tryptic soy broth (TSB) at 37 degrees C with shaking. The day of the screen the overnight culture is diluted 1:100 in fresh tryptic soy broth.
The day of the screen, 30 microL of tryptic soy broth (TSB) is pipetted into columns 1-22 of a 384-well plate (Corning 3764) using the Combi multidrop dispenser. To column 24, 30 microL of TSB containing 78 microM of Benserazide TSB is added for a positive control. To column 23, 30 microL of TSB containing with DMSO (0.078% v/v in TSB) is added for a negative control. 300 nL of each compound are pin-transferred to each plate. For every compound plate 2 replicate assay plates are set up. 30 microL of the 1:100 diluted-B. multivorans strain VC7102 is added to each well using the Combi. Initial OD600 and GFP are measured using the PerkinElmer EnVision. Plates are stacked 5 high, covered with lids and incubated at 37 degrees C overnight (~18 h).
The following day, assay plates are read using a PerkinElmer EnVision (600 nm filter and GFP).
Positive control: Benserazide 39 microM in column 24 (No positive control was used for plates 2089 & 2090; Plates 2091-2093: columns 1 & 24)
Negative control: DMSO 300 nL/well in column 23 (For plates 2089 & 2090 negative controls were located in columns 2 & 24; plates 2091-2093: columns 2 & 23)

Comment: Analysis method:
For each compound well, the initial GFP value was subtracted from overnight GFP value to calculate the deltaGFP. The mean and standard deviation of the negative control wells deltaGFP (column 23) on both replicate plates was calculated. Wells with replicate average deltaGFP at least 3 standard deviations above the plate negative control deltaGFP average were scored as potential positives.

To determine activity scores, Z-scores were calculated for each replicate separately based on the replicate negative control deltaGFP plate average and standard deviation. The replicate average deltaGFP Z-scores were used for activity scores, with activity score of 100 set to Z-score = 4 and activity score = 0 (no activity) set to Z-score = 0. Z-scores > 4 were considered activity score = 100, and Z-scores < 0 were considered activity score = 0.

Avg_deltaGFP_Z-score	Absorbance_T0_A	GFP_T0_A	Absorbance_T0_B	GFP_T0_B	Absorbance_A	GFP_A	Absorbance_B	GFP_B	deltaGFP_A	deltaGFP_B	Avg_deltaGFP	deltaGFP_A_Z-score	deltaGFP_B_Z-score
-1.27	0.058	2540356	0.057	2547765	0.323	2653767	0.324	2670642	113411	122877	118144	-1.02538	-1.51489
0.67	0.06	2426612	0.06	2412710	0.332	2588935	0.334	2587049	162323	174339	168331	0.387734	0.95318
-0.33	0.059	2520773	0.059	2509075	0.354	2673282	0.353	2672667	152509	163592	158050	-0.303321	-0.354548
1	0.059	2468903	0.06	2466127	0.341	2639381	0.343	2657312	170478	191185	180832	0.740141	1.26456
0.74	0.106	2047221	0.107	2046542	0.568	2660762	0.571	2649109	613541	602567	608054	0.543696	0.932316
-0.66	0.092	2123400	0.091	2148341	0.529	2717562	0.527	2686607	594162	538266	566214	-0.115128	-1.20669
-2.8	0.084	2199147	0.086	2231265	0.513	2727386	0.51	2708166	528239	476901	502570	-2.3563	-3.24802
-1.96	0.11	2144558	0.109	2153923	0.5	2687675	0.492	2666280	543117	512357	527737	-1.8505	-2.06856
-1.14	0.104	2099367	0.101	2142517	0.523	2681778	0.518	2664243	582411	521726	552068	-0.514625	-1.7569
-1.27	0.06	2163951	0.06	2189032	0.479	2724714	0.479	2724846	560763	535814	548288	-1.25059	-1.28825
0.44	0.112	2063589	0.11	2102127	0.548	2685220	0.536	2678343	621631	576216	598924	0.818731	0.0557383
-2.91	0.08	2158004	0.079	2170268	0.457	2669594	0.457	2657682	511590	487414	499502	-2.92231	-2.8983
-0.49	0.095	2076005	0.096	2131985	0.526	2666805	0.524	2683829	590800	551844	571322	-0.229425	-0.755007
-0.9	0.062	2090554	0.062	2141637	0.497	2673509	0.491	2677205	582955	535568	559262	-0.496131	-1.29644
-0.25	0.116	2079590	0.115	2121566	0.524	2677549	0.525	2680407	597959	558841	578400	0.0139578	-0.522249
-2.52	0.062	2255876	0.061	2287219	0.513	2783828	0.509	2781307	527952	494088	511020	-2.36606	-2.67629
-0.99	0.065	2156875	0.064	2185148	0.514	2718354	0.514	2737090	561479	551942	556710	-1.22625	-0.751747
0.2	0.076	2248749	0.074	2236287	0.498	2854236	0.494	2844008	605487	607721	606604	0.425044	-0.0214336
-0.39	0.059	2155193	0.061	2158543	0.53	2739701	0.526	2750103	584508	591560	588034	-0.243403	-0.538384
2.08	0.08	2151673	0.079	2156007	0.528	2802359	0.525	2836180	650686	680173	665430	1.86521	2.29612

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3761240

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2016
Volume: 24
Issue: 5
First Page: 1115
Last Page: 1120
DOI: 10.1016/j.bmc.2016.01.037

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0521	Ki	=	52.1	nM
0.0715	Ki	=	71.5	nM
0.567	Ki	=	567	nM
5.9E-4	Ki	=	0.59	nM
0.0427	Ki	=	42.7	nM
0.0121	Ki	=	12.1	nM
0.0235	Ki	=	23.5	nM
0.44	Ki	=	440	nM
0.0371	Ki	=	37.1	nM
6.9E-4	Ki	=	0.69	nM
0.133	Ki	=	133	nM
0.199	Ki	=	199	nM
0.0036	Ki	=	3.6	nM
0.0068	Ki	=	6.8	nM
0.0629	Ki	=	62.9	nM
0.447	Ki	=	447	nM
0.139	Ki	=	139	nM
0.471	Ki	=	471	nM
10	Ki	>	10000	nM
0.0795	Ki	=	79.5	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3760464

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2016
Volume: 24
Issue: 5
First Page: 1115
Last Page: 1120
DOI: 10.1016/j.bmc.2016.01.037

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.361	Ki	=	361	nM
0.817	Ki	=	817	nM
0.757	Ki	=	757	nM
0.859	Ki	=	859	nM
0.304	Ki	=	304	nM
0.0823	Ki	=	82.3	nM
0.0681	Ki	=	68.1	nM
0.463	Ki	=	463	nM
2.352	Ki	=	2352	nM
6.45	Ki	=	6450	nM
10	Ki	>	10000	nM
10	Ki	>	10000	nM
6.26	Ki	=	6260	nM
4.512	Ki	=	4512	nM
0.879	Ki	=	879	nM
10	Ki	>	10000	nM
9.12	Ki	=	9120	nM
0.447	Ki	=	447	nM
6.245	Ki	=	6245	nM
0.087	Ki	=	87	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL3761242

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2016
Volume: 24
Issue: 5
First Page: 1115
Last Page: 1120
DOI: 10.1016/j.bmc.2016.01.037

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
24	Ki	=	24000	nM
23	Ki	=	23000	nM
21	Ki	=	21000	nM
0.69	Ki	=	690	nM
0.164	Ki	=	164	nM
9.3	Ki	=	9300	nM
8.6	Ki	=	8600	nM
45.4	Ki	=	45400	nM
1.2	Ki	=	1200	nM
0.025	Ki	=	25	nM
6.5	Ki	=	6500	nM
8.3	Ki	=	8300	nM
0.05	Ki	=	50	nM
0.25	Ki	=	250	nM
5.8	Ki	=	5800	nM
25	Ki	=	25000	nM
9.8	Ki	=	9800	nM
25	Ki	=	25000	nM
1.2	Ki	=	1200	nM
0.328	Ki	=	328	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1788075

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 12
First Page: 3170
Last Page: 3173
DOI: 10.1016/j.bmcl.2009.04.123

Standard Type	Standard Relation	Standard Value
Ratio Ki	=	10
Ratio Ki	=	4.8
Ratio Ki	=	0.29
Ratio Ki	=	8.06
Ratio Ki	=	7.32
Ratio Ki	=	6.97
Ratio Ki	=	22.76
Ratio Ki	=	7.94
Ratio Ki	=	8.4
Ratio Ki	=	11.11

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL3761241

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2016
Volume: 24
Issue: 5
First Page: 1115
Last Page: 1120
DOI: 10.1016/j.bmc.2016.01.037

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.125	Ki	=	125	nM
0.133	Ki	=	133	nM
0.125	Ki	=	125	nM
0.012	Ki	=	12	nM
0.046	Ki	=	46	nM
0.019	Ki	=	19	nM
0.06	Ki	=	60	nM
0.295	Ki	=	295	nM
0.038	Ki	=	38	nM
0.008	Ki	=	8	nM
0.04	Ki	=	40	nM
0.06	Ki	=	60	nM
0.014	Ki	=	14	nM
0.012	Ki	=	12	nM
0.063	Ki	=	63	nM
0.17	Ki	=	170	nM
0.11	Ki	=	110	nM
0.24	Ki	=	240	nM
0.04	Ki	=	40	nM
0.29	Ki	=	290	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 7

External ID: CHEMBL1788074

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 12
First Page: 3170
Last Page: 3173
DOI: 10.1016/j.bmcl.2009.04.123

Target ChEMBL ID: CHEMBL2326
ChEMBL Target Name: Carbonic anhydrase VII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0053	Ki	=	5.3	nM
0.0077	Ki	=	7.7	nM
0.0062	Ki	=	6.2	nM
0.0069	Ki	=	6.9	nM
0.0047	Ki	=	4.7	nM
0.0068	Ki	=	6.8	nM
0.0054	Ki	=	5.4	nM
0.0069	Ki	=	6.9	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase

External ID: CHEMBL1106166

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2010
Volume: 20
Issue: 8
First Page: 2508
Last Page: 2511
DOI: 10.1016/j.bmcl.2010.02.103

Target ChEMBL ID: CHEMBL5337
ChEMBL Target Name: Carbonic anhydrase
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.119	Ki	=	119	nM
0.0051	Ki	=	5.1	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 5B, mitochondrial

External ID: CHEMBL959282

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL3969
ChEMBL Target Name: Carbonic anhydrase VB
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1.1	Ki	=	1100	nM
0.0409	Ki	=	40.9	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL3270415

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 11
First Page: 2939
Last Page: 2946
DOI: 10.1016/j.bmc.2014.04.006

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.095	Ki	=	95	nM
0.109	Ki	=	109	nM
0.164	Ki	=	164	nM
0.006	Ki	=	6	nM
9.5	Ki	=	9500	nM
9.3	Ki	=	9300	nM
8.6	Ki	=	8600	nM
28	Ki	=	28000	nM
1.2	Ki	=	1200	nM
0.025	Ki	=	25	nM
6.5	Ki	=	6500	nM
8.3	Ki	=	8300	nM
0.05	Ki	=	50	nM
0.25	Ki	=	250	nM
5.8	Ki	=	5800	nM
25	Ki	=	25000	nM
9.8	Ki	=	9800	nM
25	Ki	=	25000	nM
1.2	Ki	=	1200	nM
0.328	Ki	=	328	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL1106165

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2010
Volume: 20
Issue: 8
First Page: 2508
Last Page: 2511
DOI: 10.1016/j.bmcl.2010.02.103

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0083	Ki	=	8.3	nM
0.0601	Ki	=	60.1	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 6

External ID: CHEMBL959283

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL3025
ChEMBL Target Name: Carbonic anhydrase VI
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
2.65	Ki	=	2650	nM
0.025	Ki	=	25	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 4

External ID: CHEMBL959280

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL3729
ChEMBL Target Name: Carbonic anhydrase IV
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
9	Ki	=	9000	nM
0.0489	Ki	=	48.9	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 5A, mitochondrial

External ID: CHEMBL959281

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL4789
ChEMBL Target Name: Carbonic anhydrase VA
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
1.1	Ki	=	1100	nM
0.0727	Ki	=	72.7	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL3270416

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2014
Volume: 22
Issue: 11
First Page: 2939
Last Page: 2946
DOI: 10.1016/j.bmc.2014.04.006

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.03	Ki	=	30	nM
0.033	Ki	=	33	nM
0.046	Ki	=	46	nM
0.002	Ki	=	2	nM
0.094	Ki	=	94	nM
0.019	Ki	=	19	nM
0.06	Ki	=	60	nM
0.3	Ki	=	300	nM
0.038	Ki	=	38	nM
0.008	Ki	=	8	nM
0.04	Ki	=	40	nM
0.06	Ki	=	60	nM
0.014	Ki	=	14	nM
0.012	Ki	=	12	nM
0.063	Ki	=	63	nM
0.17	Ki	=	170	nM
0.11	Ki	=	110	nM
0.24	Ki	=	240	nM
0.04	Ki	=	40	nM
0.29	Ki	=	290	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL959278

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0072	Ki	=	7.2	nM
0.0725	Ki	=	72.5	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3270419

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 11
First Page: 2939
Last Page: 2946
DOI: 10.1016/j.bmc.2014.04.006

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0252	Ki	=	25.2	nM
0.0501	Ki	=	50.1	nM
0.0523	Ki	=	52.3	nM
0.0451	Ki	=	45.1	nM
0.631	Ki	=	631	nM
0.391	Ki	=	391	nM
0.382	Ki	=	382	nM
0.455	Ki	=	455	nM
0.0641	Ki	=	64.1	nM
0.103	Ki	=	103	nM
0.181	Ki	=	181	nM
0.592	Ki	=	592	nM
0.0885	Ki	=	88.5	nM
0.0721	Ki	=	72.1	nM
0.593	Ki	=	593	nM
0.516	Ki	=	516	nM
0.396	Ki	=	396	nM
0.277	Ki	=	277	nM
0.245	Ki	=	245	nM
0.745	Ki	=	745	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 3

External ID: CHEMBL959279

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL2885
ChEMBL Target Name: Carbonic anhydrase III
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
1400	Ki	=	1400000	nM	Outside typical range
34.5	Ki	=	34500	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3270418

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 11
First Page: 2939
Last Page: 2946
DOI: 10.1016/j.bmc.2014.04.006

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0403	Ki	=	40.3	nM
0.0598	Ki	=	59.8	nM
0.319	Ki	=	319	nM
0.0905	Ki	=	90.5	nM
2.26	Ki	=	2260	nM
0.913	Ki	=	913	nM
0.541	Ki	=	541	nM
0.939	Ki	=	939	nM
1.67	Ki	=	1670	nM
0.0714	Ki	=	71.4	nM
0.988	Ki	=	988	nM
0.77	Ki	=	770	nM
0.201	Ki	=	201	nM
0.0768	Ki	=	76.8	nM
0.929	Ki	=	929	nM
0.757	Ki	=	757	nM
0.866	Ki	=	866	nM
0.946	Ki	=	946	nM
0.253	Ki	=	253	nM
15.8	Ki	=	15800	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL959277

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0075	Ki	=	7.5	nM
0.0509	Ki	=	50.9	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3270420

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2014
Volume: 22
Issue: 11
First Page: 2939
Last Page: 2946
DOI: 10.1016/j.bmc.2014.04.006

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
0.071	Ki	=	71	nM
0.087	Ki	=	87	nM
	Ki				Not Determined
0.064	Ki	=	64	nM
0.236	Ki	=	236	nM
0.768	Ki	=	768	nM
2.59	Ki	=	2590	nM
	Ki				Not Determined
0.105	Ki	=	105	nM
0.033	Ki	=	33	nM
1.235	Ki	=	1235	nM
1.359	Ki	=	1359	nM
0.176	Ki	=	176	nM
0.04	Ki	=	40	nM
0.973	Ki	=	973	nM
2.36	Ki	=	2360	nM
1.463	Ki	=	1463	nM
1.845	Ki	=	1845	nM
0.035	Ki	=	35	nM
	Ki				Not Determined

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

来源：ChEMBL 靶标：Carbonic anhydrase 14

External ID: CHEMBL959288

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL3510
ChEMBL Target Name: Carbonic anhydrase XIV
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.048	Ki	=	48	nM
0.424	Ki	=	424	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL959289

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.339	Ki	=	339	nM
0.0095	Ki	=	9.5	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 12

External ID: CHEMBL959286

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.11	Ki	=	110	nM
0.0178	Ki	=	17.8	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 13

External ID: CHEMBL959287

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL2186
ChEMBL Target Name: Carbonic anhydrase XIII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
2.633	Ki	=	2633	nM
4.85	Ki	=	4850	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 7

External ID: CHEMBL959284

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL2326
ChEMBL Target Name: Carbonic anhydrase VII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.089	Ki	=	89	nM
0.0732	Ki	=	73.2	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 9

External ID: CHEMBL959285

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2009
Volume: 19
Issue: 5
First Page: 1371
Last Page: 1375
DOI: 10.1016/j.bmcl.2009.01.038

Target ChEMBL ID: CHEMBL3594
ChEMBL Target Name: Carbonic anhydrase IX
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.102	Ki	=	102	nM
0.0064	Ki	=	6.4	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3407118

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2015
Volume: 23
Issue: 8
First Page: 1728
Last Page: 1734
DOI: 10.1016/j.bmc.2015.02.045

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
	Ki				Not Determined
0.18	Ki	=	180	nM
	Ki				Not Determined
	Ki				Not Determined
	Ki				Not Determined
	Ki				Not Determined
	Ki				Not Determined
	Ki				Not Determined
0.19	Ki	=	190	nM
0.2	Ki	=	200	nM
1.72	Ki	=	1720	nM
0.97	Ki	=	970	nM
0.14	Ki	=	140	nM
0.063	Ki	=	63	nM
0.83	Ki	=	830	nM
0.35	Ki	=	350	nM
0.14	Ki	=	140	nM
0.25	Ki	=	250	nM
	Ki				Not Determined
	Ki				Not Determined

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3407119

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2015
Volume: 23
Issue: 8
First Page: 1728
Last Page: 1734
DOI: 10.1016/j.bmc.2015.02.045

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
3.4	Ki	=	3400	nM
4.65	Ki	=	4650	nM
4.1	Ki	=	4100	nM
1.45	Ki	=	1450	nM
0.223	Ki	=	223	nM
0.595	Ki	=	595	nM
0.51	Ki	=	510	nM
4.22	Ki	=	4220	nM
1.035	Ki	=	1035	nM
0.613	Ki	=	613	nM
0.201	Ki	=	201	nM
0.68	Ki	=	680	nM
0.343	Ki	=	343	nM
0.324	Ki	=	324	nM
0.711	Ki	=	711	nM
3.6	Ki	=	3600	nM
0.662	Ki	=	662	nM
0.893	Ki	=	893	nM
0.418	Ki	=	418	nM
0.38	Ki	=	380	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL3407116

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2015
Volume: 23
Issue: 8
First Page: 1728
Last Page: 1734
DOI: 10.1016/j.bmc.2015.02.045

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.095	Ki	=	95	nM
0.109	Ki	=	109	nM
0.164	Ki	=	164	nM
0.006	Ki	=	6	nM
9.5	Ki	=	9500	nM
9.3	Ki	=	9300	nM
8.6	Ki	=	8600	nM
28	Ki	=	28000	nM
1.2	Ki	=	1200	nM
0.025	Ki	=	25	nM
6.5	Ki	=	6500	nM
8.3	Ki	=	8300	nM
0.05	Ki	=	50	nM
0.25	Ki	=	250	nM
5.8	Ki	=	5800	nM
25	Ki	=	25000	nM
9.8	Ki	=	9800	nM
25	Ki	=	25000	nM
1.2	Ki	=	1200	nM
0.328	Ki	=	328	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL3407117

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2015
Volume: 23
Issue: 8
First Page: 1728
Last Page: 1734
DOI: 10.1016/j.bmc.2015.02.045

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.03	Ki	=	30	nM
0.033	Ki	=	33	nM
0.046	Ki	=	46	nM
0.002	Ki	=	2	nM
0.094	Ki	=	94	nM
0.019	Ki	=	19	nM
0.06	Ki	=	60	nM
0.3	Ki	=	300	nM
0.038	Ki	=	38	nM
0.008	Ki	=	8	nM
0.04	Ki	=	40	nM
0.06	Ki	=	60	nM
0.014	Ki	=	14	nM
0.012	Ki	=	12	nM
0.063	Ki	=	63	nM
0.17	Ki	=	170	nM
0.11	Ki	=	110	nM
0.24	Ki	=	240	nM
0.04	Ki	=	40	nM
0.29	Ki	=	290	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL3407120

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem.
Year: 2015
Volume: 23
Issue: 8
First Page: 1728
Last Page: 1734
DOI: 10.1016/j.bmc.2015.02.045

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0403	Ki	=	40.3	nM
0.0745	Ki	=	74.5	nM
0.553	Ki	=	553	nM
0.0667	Ki	=	66.7	nM
4.034	Ki	=	4034	nM
0.48	Ki	=	480	nM
0.0847	Ki	=	84.7	nM
0.492	Ki	=	492	nM
0.345	Ki	=	345	nM
0.264	Ki	=	264	nM
0.872	Ki	=	872	nM
20.6	Ki	=	20600	nM
0.191	Ki	=	191	nM
0.0758	Ki	=	75.8	nM
0.632	Ki	=	632	nM
0.825	Ki	=	825	nM
23.75	Ki	=	23750	nM
0.488	Ki	=	488	nM
0.0605	Ki	=	60.5	nM
0.0587	Ki	=	58.7	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 2

External ID: CHEMBL935610

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL205
ChEMBL Target Name: Carbonic anhydrase II
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.012	Ki	=	12	nM
0.0072	Ki	=	7.2	nM
0.009	Ki	=	9	nM
0.003	Ki	=	3	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 1

External ID: CHEMBL935609

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL261
ChEMBL Target Name: Carbonic anhydrase I
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.25	Ki	=	250	nM
0.0075	Ki	=	7.5	nM
50	Ki	=	50000	nM
45	Ki	=	45000	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 7

External ID: CHEMBL935616

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL2326
ChEMBL Target Name: Carbonic anhydrase VII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0025	Ki	=	2.5	nM
0.089	Ki	=	89	nM
0.0035	Ki	=	3.5	nM
0.0028	Ki	=	2.8	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 6

External ID: CHEMBL935615

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL3025
ChEMBL Target Name: Carbonic anhydrase VI
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.011	Ki	=	11	nM
2.65	Ki	=	2650	nM
0.01	Ki	=	10	nM
9.0E-4	Ki	=	0.9	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 12

External ID: CHEMBL935618

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL3242
ChEMBL Target Name: Carbonic anhydrase XII
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.0057	Ki	=	5.7	nM
0.11	Ki	=	110	nM
0.0035	Ki	=	3.5	nM
0.003	Ki	=	3	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 9

External ID: CHEMBL935617

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL3594
ChEMBL Target Name: Carbonic anhydrase IX
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.025	Ki	=	25	nM
0.102	Ki	=	102	nM
0.052	Ki	=	52	nM
0.037	Ki	=	37	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 14

External ID: CHEMBL829846

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2005
Volume: 15
Issue: 17
First Page: 3828
Last Page: 3833
DOI: 10.1016/j.bmcl.2005.06.055

Target ChEMBL ID: CHEMBL3510
ChEMBL Target Name: Carbonic anhydrase XIV
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.048	Ki	=	48	nM
0.076	Ki	=	76	nM
0.013	Ki	=	13	nM
0.78	Ki	=	780	nM
3.255	Ki	=	3255	nM
3.84	Ki	=	3840	nM
6.5	Ki	=	6500	nM
0.245	Ki	=	245	nM
0.28	Ki	=	280	nM
4.8	Ki	=	4800	nM
0.079	Ki	=	79	nM
0.345	Ki	=	345	nM
0.025	Ki	=	25	nM
0.015	Ki	=	15	nM
0.18	Ki	=	180	nM
0.043	Ki	=	43	nM
0.041	Ki	=	41	nM
0.68	Ki	=	680	nM
3.2	Ki	=	3200	nM
0.021	Ki	=	21	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 4

External ID: CHEMBL935612

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL3729
ChEMBL Target Name: Carbonic anhydrase IV
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.074	Ki	=	74	nM
9	Ki	=	9000	nM
8.5	Ki	=	8500	nM
3.95	Ki	=	3950	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 3

External ID: CHEMBL935611

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL2885
ChEMBL Target Name: Carbonic anhydrase III
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
200	Ki	=	200000	nM	Outside typical range
1400	Ki	=	1400000	nM	Outside typical range
770	Ki	=	770000	nM	Outside typical range
110	Ki	=	110000	nM	Outside typical range

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

来源：NCGC 靶标：

External ID: APP-Toga-CHIKV-nsp2-p

Protocol: PROTOCOL TABLE (as described by Inglese J, Shamu CE and Guy RK. 2007)
SEQUENCE No. (e.g., 1, 2, 3, etc.); PARAMETER (e.g., Cells, Incubation, Reagent, etc.); VALUE; DESCRIPTION.
1; Control / Compound; 20 nL; Echo 655 acoustic dispenser, Greiner 1536-well solid bottom black plate.
2; Enzyme; 4 uL; BioRAPTR FRD liquid dispenser (Beckman Coulter).
3; Incubation; 15 min; room temperature.
4; Reagent; 4 uL; 2.5 uM Peptide 2 substrate.
5; Incubation; 1 hr; room temperature.
6; Detection; Fluorescence; WiewLux microplate reader (PerkinElmer), 525 nm excitation, 598/25 nm emission.

NOTES (numbers refer to sequence numbers above).
1. Briefly, 20 nL DMSO, positive control ZnAc (20nM final concentration), and test compounds were transferred into a 1,536-well solid bottom black plate (789176-F, Greiner One) via Echo 655 acoustic dispenser (Beckman Coulter). For primary screens, compounds were tested at 7 concentrations, 1:3 dilution points ranging from 25 uM to 34 nM. Follow-up confirmatory screens were carried out at 11 concentrations, 1:3 dilution points from 25 uM to 0.42 nM.
2. Four uL nsP2pro enzyme mix (150 nM final concentration) in 10 mM Tris-HCl pH 8.0 with 0.01% Tween 20 assay buffer was dispensed into the plate using a BioRAPTR FRD liquid dispenser (Beckman Coulter).
3. The plate was incubated at room temperature (protected from light) for 15 min
4. Four microliter of peptide 2 substrate (2.5 uM final concentration) in assay buffer was added to the plate.
5. After 1 hour, plates were immediately read on a ViewLux high-throughput CCD imager (Exposure = 10 sec, Gain = High, Speed = Slow, Binning = 2X). The above assay was also incorporated in the NCATS HTS facility41, which allowed for robotic liquid and compound dispensing, microplate handling, and fluorescence reading..

REFERENCE:
Inglese J, Shamu CE and Guy RK, Reporting data from high throughput screening of small molecule libraries, Nature Chemical Biology, 2007, 3(8): 438-441. doi.org/10.1038/nchembio0807-438.

Comment: Disclaimer:
Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods [1].

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. For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, with a ratio activity curve class of 4, 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. For a ratio activity curve class = -1.1, score = 80+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 && abs(ratio.max_response) > 6*10, score = 60+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -2.1 || ( ratio.curve_class==-2.2 && abs(ratio.max_response) > 6*10), score = 40+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 || ratio.curve_class == -2.2, score = 20+abs((log_ac50+4.5)*inf_activity/20). Inconclusive compounds, with a donor curve class other than 4, have PUBCHEM_ACTIVITY_SCORE of 10. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39.

Reference:
1. Inglese J, Auld DS, Jadhav A, et al. Quantitative high-throughput screening: a titration-based approach that efficiently identifies biological activities in large chemical libraries. Proc Natl Acad Sci U S A. 2006;103(31):11473-11478.

Phenotype	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.0001439601 uM	Activity at 0.0003895389 uM	Activity at 0.00154 uM	Activity at 0.00290 uM	Activity at 0.00833 uM	Activity at 0.041 uM	Activity at 0.095 uM	Activity at 0.199 uM	Activity at 0.321 uM	Activity at 0.689 uM	Activity at 1.028 uM	Activity at 2.684 uM	Activity at 5.101 uM	Activity at 10.05 uM	Activity at 24.85 uM	Compound QC
Inactive				0	0	4		58.4116	43.5916	25.8843	33.4207	9.1109	21.6395	45.6886	10.8911		28.3955	31.3127		38.9914		41.6558	58.4116	QC'd by Sytravon
Inactive				0	0	4		-12.6805						-10.7548		-9.5107			-10.6418		-15.9997		-12.6805	QC'd by Sytravon
Inactive				0	0	4		-7.1462						-9.2235		-11.8601			-6.118		-12.2196		-7.1462	QC'd by Sytravon
Inactive	-4.75	4.9549	0.6661	-22.0013	-2	4	0 0 0 0 0	-18.751						-10.987		-0.9935			2.356		1.2583		-18.751	QC'd by Sytravon
Inactive				0	0	4		-11.1249						-10.2692		-11.5229			-11.032		-13.325		-11.1249	QC'd by Sytravon
Inactive	-4.8	1.8851	0.5555	-23.9168	-5.4088	4	0 0 0 0 0	-18.264						-13.0121		-2.8407			-6.6548		-7.1687		-18.264	QC'd by Sytravon
Inactive	-6.35	4.9549	0.9083	-3.1815	-14.9283	4	0 0 0 0 1	-10.2909						-13.1276		-17.0236			-1.4012		-4.6174		-10.2909	QC'd by Sytravon
Inactive	-5.95	0.4	0.9812	-20.7272	-0.9942	4	0 0 0 0 0	-16.0227						-4.9952		-8.1266			-9.7286		-14.3153		-16.0227	QC'd by Sytravon
Inactive	-6.5	4.9549	0.6409	-9.2158	-16.6011	4	0 0 0 0 1	-12.7654						-16.3342		-16.1896			-6.0131		-13.084		-12.7654	QC'd by Sytravon
Inactive				0	0	4		1.975						2.6103		3.4198			-3.4748		1.7624		1.975	QC'd by Sytravon
Inactive				0	0	4		-8.2223						-0.1456		-4.3339			-1.582		-3.6253		-8.2223	QC'd by Sytravon
Inactive	-7.25	4.9549	0.602	-10.0715	2	4	0 0 0 0 0	-12.6011						0.2325		-14.2262			-4.5441		-8.7364		-12.6011	QC'd by Sytravon
Inactive	-4.75	4.5045	0.9809	-24.6554	-10.8442	4	0 0 0 0 0	-22.2129						-9.8702		-10.3098			-11.7375		-10.6121		-22.2129	QC'd by Sytravon
Inactive	-4.75	4.9549	0.8409	-13.5514	2	4	0 0 0 0 0	-11.2928						-1.9276		4.6106			1.3336		4.0275		-11.2928	QC'd by Sytravon
Inactive	-5.2	0.5	0.9077	-28.8252	-9.4452	4	0 0 0 0 0	-23.1876						-10.7877		-12.0613			-16.7104		-16.3414		-23.1876	QC'd by Sytravon
Inactive				0	0	4		-18.3436						-16.2788		-21.7212			-19.8613		-16.6894		-18.3436	QC'd by Sytravon
Inactive				0	0	4		-5.4025						-9.518		-0.1694			0.2848		-4.8162		-5.4025	QC'd by Sytravon
Inactive				0	0	4		-23.1229						-14.0834		-13.5556			-16.7644		-18.8145		-23.1229	QC'd by Sytravon
Inactive	-4.95	3.2975	0.9426	-35.5663	-15.2262	4	0 0 0 0 0	-34.2687						-12.6885		-18.3414			-14.0693		-16.4909		-34.2687	QC'd by Sytravon
Inactive	-4.75	4.9549	0.7952	-15.6253	-4.8932	4	0 0 0 0 0	-13.8544						-4.3645		-8.5252			-3.661		-3.9903		-13.8544	QC'd by Sytravon

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

来源：ChEMBL 靶标：Carbonic anhydrase 5B, mitochondrial

External ID: CHEMBL935614

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL3969
ChEMBL Target Name: Carbonic anhydrase VB
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.054	Ki	=	54	nM
1.1	Ki	=	1100	nM
0.033	Ki	=	33	nM
0.03	Ki	=	30	nM

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

来源：ChEMBL 靶标：Carbonic anhydrase 5A, mitochondrial

External ID: CHEMBL935613

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg. Med. Chem. Lett.
Year: 2008
Volume: 18
Issue: 8
First Page: 2669
Last Page: 2674
DOI: 10.1016/j.bmcl.2008.03.023

Target ChEMBL ID: CHEMBL4789
ChEMBL Target Name: Carbonic anhydrase VA
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
0.063	Ki	=	63	nM
1.1	Ki	=	1100	nM
0.042	Ki	=	42	nM
0.05	Ki	=	50	nM

452-35-7 靶点实验数据