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

来源：ChEMBL 靶标：Adenosine deaminase

External ID: CHEMBL646757

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 22
First Page: 3710
Last Page: 3720
DOI: 10.1021/jm010216r

Target ChEMBL ID: CHEMBL2966
ChEMBL Target Name: Adenosine deaminase
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
200	Km	=	200000	nM
800	Km	>	800000	nM
800	Km	>	800000	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: HERG01

Protocol: NCGC Assay Protocol Summary:

HERG assay (FluxORTM thallium flux assay) was initially developed by Invitrogen/Molecular Probes, and then miniaturized into 1536-well plate in a homogeneous format by NCGC. This assay measures the activity of potassium channel using thallium dye (FluxOR) flux as surrogate measurement for potassium into the cells with a FDSS-7000 kinetic plate reader (Hamamatsu Corp., Hamamatsu City, Japan). The hERG ion channel is transduced into mammalian cells (U2OS) using a baculovirus (Bacmam) construct harboring the hERG K+ ion channel. So far we screened LOPAC1280 library (Sigma), the NTP collection of 1408 compounds, and the NCGC Pharmaceutical Collection (NPC), in which many well defined HERG blockers are present. The rank order potencies of many of these compounds are similar to that of other HERG assays (membrane potential, Rb+ flux, patch clamp, etc). This quick and homogeneous assay is also found to be sensitive, specific, and robust.

Using the FluxORTM thallium flux assay, the activity of potassium channel using thallium dye (FluxOR) flux as surrogate measurement for potassium into the cells was measured in the U2OS cell line transduced with hERG K+ ion channel using a baculovirus (Bacmam) using Opti-MEM medium (Invitrogen) containing 2% fetal calf serum (FCS, HyCone) following loading buffer addition, compound treatment for around 10 minutes and finally adding stimulation buffer. The assay was performed in black clear Kalypsys 1536-well plates. In the screen, Astemizole was used as positive controls. Library compounds were measured for their ability to cause hERG channel blockage in the cell line, as reflected by a decrease in fluorescence intensity, in a concentration-dependent manner. Data were normalized to the controls for basal activity (DMSO only) and 100% inhibition (5uM Astemizole). AC50 values were determined from concentration-response data modeled with the standard Hill equation.

qHTS protocol for hERG-U2OS cellular assay

[Step] [Parameter] [Value] [Description]

1. Day 1: Replace medium in 70-80% confluent T225 flask with 2.5 mL of hERG-BacMam virus plus 12.5 mL of phosphate buffered saline (PBS) (corresponding roughly to a multiplicity of infection ratio of 100 virus particles/cell)
2. Incubation: 4 hrs @ room Temperature in Dark
3. Reagent; Remove virus; wash once with 25 ml DPBS
4. Reagent; 35 ml culture medium
5. Incubation; 37oC overnight
6. Day2: Reagent; 3 uL; 2000 U2OS cells/well
7. Time; 4 hr; 37oC incubation
8. Loading buffer; 1 uL; 0.7X;
9. Incubation: 1hr @ RT in Dark.
10. Compounds; 23 nL; 0.59 nM to 92 uM
11. Controls; 23 nL; Astemizole 1.4 nM to 92 uM
12. Time; 10min; 37oC incubation
13. Read fluorescence Intensity on FDSS for 10 Sec with 1 sec interval
14. Reagent; 1 uL; stimulation buffer
15. Read fluorescence Intensity on FDSS for 2 min with 1 sec interval
16. Detection; Fluorescence Intensity; FDSS

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	Potency	Efficacy	Activity_Score	Curve_Description	Fit_LogAC50	Fit_HillSlope	Fit_R2	Fit_InfiniteActivity	Fit_ZeroActivity	Fit_CurveClass	Excluded_Points	Max_Response	Activity at 0.0006116734 uM	Activity at 0.00133 uM	Activity at 0.00297 uM	Activity at 0.00673 uM	Activity at 0.015 uM	Activity at 0.033 uM	Activity at 0.075 uM	Activity at 0.167 uM	Activity at 0.369 uM	Activity at 0.836 uM	Activity at 1.842 uM	Activity at 4.179 uM	Activity at 9.216 uM	Activity at 20.61 uM	Activity at 46.08 uM	Activity at 92.17 uM	Compound QC
Inactive			0			4.095	0.5622	-0.5	-17.4055	4	1 0 0 0 0 0 1 0 0 0 0 0 0 0	4.0358	-8.1088		-16.5879		-0.7265	-5.6584	4.373	0.1327	-9.7032	0.3685	4.1527	-0.141	-3.5272	-0.9713	-9.3203	4.0358	QC'd by NIEHS/NTP
Activator	15.8489	52.3975	0	Single point of activity	-4.8	0.4	0.5108	48.9806	-3.4169	3	0 0 0 0 0 1 0 0 0 0 0 1 0 1 0	38.0621	2.0116	-8.9739	-7.0623	0	-7.0944	-39.2396	0	18.7338	25.7808	0	0	-59.5394	11.6237	48.2153	38.0621		QC'd by NIEHS
Inactive			0							4		-1.0832	-10.8974		1.0031		-11.058	-11.888	3.6568	0.9182	5.3174	0.029	-1.4893	2.1711	3.0788	-19.8367	-2.8584	-1.0832	QC'd by NIEHS/NTP
Inactive			0							4		2.4598	2.223		-1.6367		8.778	-0.1138	9.2269	3.4407	11.6742	-2.1465	11.8823	-1.8078	-2.083	3.7825	4.4909	2.4598	QC'd by NIEHS
Inactive			0			1.8579	0.4575	4.5	-21.0899	4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	12.886	-15.9083		0.1018		0.3771	-0.0246	7.9993	-3.797	13.0973	11.6372	8.3022	-2.6663	9.3202	-2.3421	-0.2854	12.886	QC'd by NIEHS/NTP
Inactive			0			4.9549	0.5492	-6.7707	1.5	4	0 0 0 0 0 0 0 0 0 0 1 0 0 1	1.3669	-1.0856		-0.7765		1.1242	1.7058	0.7901	-1.9869	6.0901	5.2659	3.2331	-7.9279	-28.3694	-1.3017	-10.2255	1.3669	QC'd by NIEHS/NTP
Inactive			0							4		-5.5826	-4.0359		-4.4476		-11.3473	-11.9097	-1.5507	-10.1535	-3.3626	1.3234	-0.4426	-13.9824	-5.2512	-18.0387	-15.3022	-5.5826	QC'd by NIEHS/NTP
Inhibitor	39.8107	51.9004	20	Partial curve; partial efficacy	-4.4	3.99	0.9828	-50.1381	1.7623	-2.2	0 0 0 0 0 0 0 0 0 0 0 0 0 0	-49.4594	3.1993		-0.0269		2.7134	-1.9807	5.2946	0.2133	-0.1387	-0.2625	2.4708	0.1777	2.5372	0.4925	-30.4729	-49.4594	QC'd by NIEHS/NTP
Inactive			0			2.3332	0.6977	-10.8456	1	4	0 0 0 0 0 0 1 0 0 0 0 1 0 1	-1.1266	-1.4611		1.2528		-0.0369	0.0295	5.5889	-3.0357	6.7506	4.5747	-1.4797	-0.1821	-9.6414	-1.4402	-9.8713	-1.1266	QC'd by NIEHS/NTP
Inactive			0							4		14.6008	0.5397		-1.6708		-0.413	0.9694	7.4259	-2.2585	5.0869	7.9351	-2.4752	-5.636	5.3996	1.849	-2.4871	14.6008	QC'd by NIEHS/NTP
Inactive			0			0.7	0.5791	-8.9231	4	4	0 0 0 0 0 0 1 0 0 0 0 0 0 1	2.8063	3.5153		5.1938		1.4116	6.3363	4.61	2.7429	12.4401	6.0481	-0.1411	0.3707	-1.4781	2.4968	-5.7693	2.8063	QC'd by NIEHS/NTP
Inactive			0							4		-17.8369	-10.5115		-2.5586		-8.8158	-26.0957	-0.4819	-9.7892	-2.0149	0.2733	2.7166	-17.2183	-0.4759	1.0932	-12.7028	-17.8369	QC'd by NIEHS/NTP
Inactive			0			4.9549	0.4427	-9.7222	-1.5	4	1 0 1 0 0 0 0 0 0 0 0 0 0 0	-13.1018	-5.5392		0.0068		7.7337	0.4588	4.0455	-12.3759	-6.5724	0.9218	1.9145	-11.3469	-7.6261	-8.5179	-8.6226	-13.1018	QC'd by NIEHS/NTP
Inactive			0			3.132	0.7434	-16.0784	1.5	4	0 0 0 0 0 0 0 0 0 0 0 0 0 1	3.9965	3.3921		-1.1556		1.9715	2.0177	3.8894	-2.609	2.8757	2.7238	4.1025	-3.5446	2.1635	-3.6983	-12.982	3.9965	QC'd by NIEHS/NTP
Inactive			0							4		7.5372	4.3881		-20.2011		5.5178	-1.3758	2.0045	-1.4401	4.9593	-2.1122	1.3726	-3.0011	-3.0677	1.1883	2.1817	7.5372	QC'd by NIEHS/NTP
Inactive			0							4		11.4525	0.2692		-0.1403		-0.3748	-11.7489	2.8347	-5.0546	16.8984	0.05	13.829	-3.6094	-0.5197	8.0326	-1.5476	11.4525	QC'd by NIEHS/NTP
Inactive			0							4		9.9936	1.7139		7.1691		6.3352	-0.3432	9.148	-5.8673	-1.5641	12.611	1.8237	8.2616	-0.6654	1.7363	2.6319	9.9936	QC'd by NIEHS/NTP
Inactive			0							4		10.234	0.5252		1.3877		-1.9626	-0.942	5.6494	-0.2769	11.7052	8.376	6.8657	-0.149	-0.1944	2.6788	-6.4192	10.234	QC'd by NIEHS/NTP
Activator	22.3872	33.8938	0	Complete curve; partial efficacy; poor fit	-4.65	2.2526	0.7151	33.9963	0.1025	1.4	0 0 0 0 0 0 0 0 0 0 0 0 0 0	25.5224	0.4272		-0.9219		-0.128	-2.1061	8.1765	-1.5863	-10.2265	12.1648	6.8628	-0.3193	-6.5155	17.6087	32.2689	25.5224	QC'd by NIEHS/NTP
Inactive			0							4		9.9848	5.5826		0.0396		-1.5504	-1.3004	3.295	3.9882	12.2742	8.0646	9.1192	2.03	1.2922	7.4225	-2.9974	9.9848	QC'd by NIEHS/NTP

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: CHEMBL838560

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 16
First Page: 2958
Last Page: 2969
DOI: 10.1021/jm00094a005

Standard Type	Standard Relation	Standard Value
Selectivity index	>	27
Selectivity index	=	25
Selectivity index	>	1
Selectivity index	>	500
Selectivity index	=	75

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: CHEMBL959602

Protocol: N/A

Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 7
First Page: 2600
Last Page: 2604
DOI: 10.1128/aac.00212-07

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
100	CC50	>	100000	nM
10	CC50	>	10000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM
100	CC50	>	100000	nM

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

来源：ChEMBL 靶标：MT4

External ID: CHEMBL715328

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: 2001
Volume: 11
Issue: 8
First Page: 1053
Last Page: 1056
DOI: 10.1016/s0960-894x(01)00128-7

Target ChEMBL ID: CHEMBL388
ChEMBL Target Name: MT4
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
7	EC50	=	7000	nM
3.6	EC50	=	3600	nM
0.23	EC50	=	230	nM

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

来源：ChEMBL 靶标：MT4

External ID: CHEMBL715329

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: 2001
Volume: 11
Issue: 8
First Page: 1053
Last Page: 1056
DOI: 10.1016/s0960-894x(01)00128-7

Target ChEMBL ID: CHEMBL388
ChEMBL Target Name: MT4
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
7.5	EC50	=	7500	nM
4.8	EC50	=	4800	nM
0.15	EC50	=	150	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: 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：Human betaherpesvirus 5

External ID: CHEMBL688159

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1990
Volume: 33
Issue: 4
First Page: 1207
Last Page: 1213
DOI: 10.1021/jm00166a019

Target ChEMBL ID: CHEMBL371
ChEMBL Target Name: Human betaherpesvirus 5
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
ID50	=	0.93	ug ml-1
ID50	=	6	ug ml-1
ID50	=	38.4	ug ml-1
ID50	=	0.04	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：CCRF-CEM

External ID: CHEMBL868231

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: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 25
First Page: 8079
Last Page: 8086
DOI: 10.1021/jm050641a

Target ChEMBL ID: CHEMBL382
ChEMBL Target Name: CCRF-CEM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
17	CC50	=	17000	nM
	CC50				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：Human immunodeficiency virus 2

External ID: CHEMBL868230

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: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 25
First Page: 8079
Last Page: 8086
DOI: 10.1021/jm050641a

Target ChEMBL ID: CHEMBL380
ChEMBL Target Name: Human immunodeficiency virus 2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
5.3	EC50	=	5300	nM
	EC50				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：Human immunodeficiency virus 1

External ID: CHEMBL868229

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: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 25
First Page: 8079
Last Page: 8086
DOI: 10.1021/jm050641a

Target ChEMBL ID: CHEMBL378
ChEMBL Target Name: Human immunodeficiency virus 1
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Activity Comment
5.5	EC50	=	5500	nM
	EC50				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：Moloney murine sarcoma virus

External ID: CHEMBL651435

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 9
First Page: 1918
Last Page: 1929
DOI: 10.1021/jm011095y

Target ChEMBL ID: CHEMBL613501
ChEMBL Target Name: Moloney murine sarcoma virus
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
EC50	=	0.25	ug.mL-1
EC50	=	0.04	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：MT4

External ID: CHEMBL714214

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1995
Volume: 5
Issue: 12
First Page: 1275
Last Page: 1280
DOI: 10.1016/0960-894X(95)00208-B

Target ChEMBL ID: CHEMBL388
ChEMBL Target Name: MT4
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
800	CC50	=	800000	nM
100	CC50	>	100000	nM

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

来源：ChEMBL 靶标：CCRF-CEM

External ID: CHEMBL650612

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 9
First Page: 1918
Last Page: 1929
DOI: 10.1021/jm011095y

Target ChEMBL ID: CHEMBL382
ChEMBL Target Name: CCRF-CEM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
EC50	=	1.8	ug.mL-1
EC50	>	100	ug.mL-1	Outside typical range
EC50	=	0.8	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：CCRF-CEM

External ID: CHEMBL650613

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 9
First Page: 1918
Last Page: 1929
DOI: 10.1021/jm011095y

Target ChEMBL ID: CHEMBL382
ChEMBL Target Name: CCRF-CEM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
EC50	=	2.5	ug.mL-1
EC50	>	100	ug.mL-1	Outside typical range
EC50	=	0.43	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：MT4

External ID: CHEMBL710866

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 22
First Page: 3710
Last Page: 3720
DOI: 10.1021/jm010216r

Target ChEMBL ID: CHEMBL388
ChEMBL Target Name: MT4
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
IC50	=	274	ug.mL-1	Outside typical range
IC50	=	16	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：Moloney murine sarcoma virus

External ID: CHEMBL746251

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: J. Med. Chem.
Year: 2003
Volume: 46
Issue: 23
First Page: 5064
Last Page: 5073
DOI: 10.1021/jm030932o

Target ChEMBL ID: CHEMBL613501
ChEMBL Target Name: Moloney murine sarcoma virus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
1120	EC50	>	1120000	nM	Outside typical range
1120	EC50	>	1120000	nM	Outside typical range
46	EC50	=	46000	nM

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

来源：846 靶标：N/A

External ID: 5mMGluc_INS1E_InsulinRelease_40mMGluc_SP

Protocol: N/A

Comment: N/A

Activity at 2 uM	Activity at 10 uM
1.05	1.35
-1.2	-2.5
0.6	-0.4
1.1	0
2.05	0.15
-1.2	-0.5
1.15	0.95
-0.4	-2
0.7	-1.2
-2.3	-2.4
0.5	0.9
1.9	1.9
-1.1	6.2
-0.9	-0.3
2.2	4.1
2.6	1.85
3	5.9
2.6	0.5
1	7.6
0.8	0.8

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

来源：ChEMBL 靶标：MT4

External ID: CHEMBL710223

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: 1992
Volume: 2
Issue: 4
First Page: 307
Last Page: 310
DOI: 10.1016/S0960-894X(01)80206-7

Target ChEMBL ID: CHEMBL388
ChEMBL Target Name: MT4
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
4.3	IC50	=	4300	nM

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

来源：846 靶标：N/A

External ID: GSK3b_inh_pretreated_Viability_ATP_HCT116_SP

Protocol: N/A

Comment: N/A

Activity at 0.2 uM	Activity at 2 uM	Activity at 20 uM
-0.8	-5	26.1
-4.15	-1.1	-7.2
-2	-0.5	-15.6
-6.4	-13.6	-13.4
-1.7	1.4	52.2
15.4	40.1	70
6.5	3.4	40.5
3.15	-4.5	-4.75
4.1	-1.2	10.9
1.35	-1	38.85
-0.5	1.6	-14.3
-11.3	-10	39.1
7.07	14.8	30.37
-1.8	-1.5	7.5
19.1	-3.9	-10.9
13.9	0	-5.5
-11.8	7.7	7.7
-10.05	-4.15	-2.95
5.5	1.3	2.6
-0.2	-2.5	-8.8

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

来源：ChEMBL 靶标：Vero

External ID: CHEMBL820066

Protocol: N/A

Comment: Journal: J Med Chem
Year: 1990
Volume: 33
Issue: 4
First Page: 1207
Last Page: 1213
DOI: 10.1021/jm00166a019

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units
ID50	>	100	ug ml-1
ID50	=	76	ug ml-1
ID50	=	60	ug ml-1
ID50	=	100	ug ml-1
ID50	=	5	ug ml-1

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

来源：846 靶标：N/A

External ID: hNCI-H716_GLP1_Secretion_SP

Protocol: N/A

Comment: N/A

Activity at 2 uM	Activity at 10 uM
0.4	-0.1
2.1	1.1
0.3	1
-1.9	0.3
-2.4	2
1.6	3.4
-3.4	-1.5
0.5	1.4
1.3	8.5
1.1	3.3
-0.5	-0.7
2.3	2.6
2.8	0.1
2.2	6
0.8	3.1
2.6	-0.1
-21	-21
0.4	-1.1
1	0.5
0	1.9

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

来源：846 靶标：N/A

External ID: VEGF_ADSC_ECFC_Angio_CD31_TubeArea_SP

Protocol: N/A

Comment: N/A

Activity at 2 uM	Activity at 10 uM
-6.5	-1.2
6.2	-8.1
-22.1	-8.2
-5.6	7.4
-6.6	3.5
2.7	-8.6
5.2	-10.7
21.8	2.7
-10.5	9.6
-13.3	1.9
-10.4	-4.4
2.3	14.1
2.1	2.1
1.4	5.9
5.7	0.3
-7.1	-9.6
-5.8	-11.2
-1	-36.8
-4.2	-12.4
-12.2	-9

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

来源：846 靶标：N/A

External ID: Basal_Viability_ATP_SW480_SP

Protocol: N/A

Comment: N/A

Activity at 0.2 uM	Activity at 2 uM	Activity at 20 uM
18.4	18.2	17.1
16.6	7.8	23.6
-2.5	3.6	16.2
19.4	34.5	22.8
15.6	24.6	125.8
48.8	75.7	90.3
27.3	14.3	23.3
6.15	28.8	59.1
21.2	12.6	49.7
-6.4	7.6	11.9
0.2	-0.4	-16.3
3	-1.5	-2.4
46.1	-3.5	1.7
10.1	15.2	5.3
-36.6	5.8	15
13.2	-5.5	16.6
-28.6	0.2	-24.3
1.4	-13.2	40.9
12.35	34.45	132.2
13	20.8	-14.2

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

来源：846 靶标：N/A

External ID: Basal_Viability_ATP_HCT116_SP

Protocol: N/A

Comment: N/A

Activity at 0.2 uM	Activity at 2 uM	Activity at 20 uM
3.2	2.5	11.9
32.3	16.2	-36.7
-4.9	2.5	-0.4
-33.9	0.6	2.4
-2.3	2.4	38.9
-27.3	23.8	59.6
1.1	2.1	34.3
8.5	-0.8	-5.3
1.4	4.9	33.6
8	-0.1	1.5
-32.6	-5.4	0.6
-15.8	-12	11.7
10.7	9.15	25.9
4	0.8	10.8
-4.6	6.8	9.4
-1.2	-3.6	-6.4
2.1	2.2	0.6
-13.8	-26.9	8.9
-26.2	-2.8	10
-31.8	4.2	6.6

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL921192

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
65.3	EC50	=	65300	nM
13.9	EC50	=	13900	nM
54.4	EC50	=	54400	nM
32	EC50	=	32000	nM
10.9	EC50	=	10900	nM

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL921193

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
47.4	EC50	=	47400	nM
13.9	EC50	=	13900	nM
61.2	EC50	=	61200	nM
20.6	EC50	=	20600	nM
13.9	EC50	=	13900	nM

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL921194

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
58.6	EC50	=	58600	nM
16.1	EC50	=	16100	nM
42	EC50	=	42000	nM
38.1	EC50	=	38100	nM
8.2	EC50	=	8200	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: CHEMBL921195

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
189.5	CC50	=	189500	nM
293.5	CC50	=	293500	nM
581.6	CC50	=	581600	nM
139.1	CC50	=	139100	nM
10.5	CC50	=	10500	nM

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

来源：ChEMBL 靶标：NON-PROTEIN TARGET

External ID: CHEMBL921191

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
39	EC50	=	39000	nM
9.6	EC50	=	9600	nM
34.9	EC50	=	34900	nM
17.1	EC50	=	17100	nM
11.2	EC50	=	11200	nM

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

来源：ChEMBL 靶标：Betapolyomavirus macacae

External ID: CHEMBL922188

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Target ChEMBL ID: CHEMBL613051
ChEMBL Target Name: Simian virus 40
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
32.6	EC50	=	32600	nM
16.1	EC50	=	16100	nM
22.2	EC50	=	22200	nM
19.8	EC50	=	19800	nM
72.8	EC50	=	72800	nM

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

来源：ChEMBL 靶标：Betapolyomavirus macacae

External ID: CHEMBL921200

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Target ChEMBL ID: CHEMBL613051
ChEMBL Target Name: Simian virus 40
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
49.8	EC50	=	49800	nM
14.6	EC50	=	14600	nM
20.8	EC50	=	20800	nM
19.8	EC50	=	19800	nM
73.1	EC50	=	73100	nM

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

来源：ChEMBL 靶标：Betapolyomavirus macacae

External ID: CHEMBL922189

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: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Target ChEMBL ID: CHEMBL613051
ChEMBL Target Name: Simian virus 40
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
38.3	EC50	=	38300	nM
16.1	EC50	=	16100	nM
18.5	EC50	=	18500	nM
19.1	EC50	=	19100	nM
112.5	EC50	=	112500	nM	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：N/A

External ID: CHEMBL922190

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
371.4	CC50	=	371400	nM
436.3	CC50	=	436300	nM
672	CC50	>=	672000	nM
322.7	CC50	=	322700	nM
139.7	CC50	=	139700	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: CHEMBL921196

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	2.5
Ratio CC50/EC50	=	2.6
Ratio CC50/EC50	=	2
Ratio CC50/EC50	=	4.9
Ratio CC50/EC50	=	16.7
Ratio CC50/EC50	=	3
Ratio CC50/EC50	=	13

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

来源：ChEMBL 靶标：CCRF-CEM

External ID: CHEMBL656767

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: J. Med. Chem.
Year: 1992
Volume: 35
Issue: 16
First Page: 2958
Last Page: 2969
DOI: 10.1021/jm00094a005

Target ChEMBL ID: CHEMBL382
ChEMBL Target Name: CCRF-CEM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
1	EC50	=	1000	nM
500	EC50	>	500000	nM	Outside typical range
12	EC50	=	12000	nM
100	EC50	>	100000	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: CHEMBL921197

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	2.1
Ratio CC50/EC50	=	1.7
Ratio CC50/EC50	=	4.5
Ratio CC50/EC50	=	2.9
Ratio CC50/EC50	=	10.7
Ratio CC50/EC50	=	2.6
Ratio CC50/EC50	=	10.4

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: CHEMBL921198

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	1.9
Ratio CC50/EC50	=	2.6
Ratio CC50/EC50	=	2.7
Ratio CC50/EC50	=	4
Ratio CC50/EC50	=	9.5
Ratio CC50/EC50	=	3.4
Ratio CC50/EC50	=	8.9

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

来源：ChEMBL 靶标：CCRF-CEM

External ID: CHEMBL876235

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: 2001
Volume: 11
Issue: 8
First Page: 1053
Last Page: 1056
DOI: 10.1016/s0960-894x(01)00128-7

Target ChEMBL ID: CHEMBL382
ChEMBL Target Name: CCRF-CEM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
7	EC50	=	7000	nM
5.6	EC50	=	5600	nM
0.12	EC50	=	120	nM

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

来源：ChEMBL 靶标：Human immunodeficiency virus 1

External ID: CHEMBL691105

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2001
Volume: 44
Issue: 22
First Page: 3710
Last Page: 3720
DOI: 10.1021/jm010216r

Target ChEMBL ID: CHEMBL378
ChEMBL Target Name: Human immunodeficiency virus 1
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
IC50	=	4.1	ug.mL-1
IC50	=	16	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：N/A

External ID: CHEMBL921199

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	2.4
Ratio CC50/EC50	=	1.8
Ratio CC50/EC50	=	3.6
Ratio CC50/EC50	=	3.2
Ratio CC50/EC50	=	13.8
Ratio CC50/EC50	=	2.4
Ratio CC50/EC50	=	9

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

来源：846 靶标：N/A

External ID: WntCondMedia_bCateninfluor/nucareaC2C12_SP

Protocol: N/A

Comment: N/A

Activity at 2 uM	Activity at 10 uM
-2.5	1.5
2.9	3.4
-0.6	0.8
-1.6	-0.2
1.4	3.2
-1.4	-0.8
1.9	0.1
1.1	0.4
-0.2	3.2
0.4	2.5
-0.9	0.2
2.2	-0.4
0.1	-0.3
-0.8	0.5
0.5	1.4
-0.1	-1
-2	1
0.3	3.1
-1.7	-1.5
-2.3	-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：CCRF-CEM

External ID: CHEMBL656769

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: 2001
Volume: 11
Issue: 8
First Page: 1053
Last Page: 1056
DOI: 10.1016/s0960-894x(01)00128-7

Target ChEMBL ID: CHEMBL382
ChEMBL Target Name: CCRF-CEM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
10	EC50	=	10000	nM
4.5	EC50	=	4500	nM
0.2	EC50	=	200	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: CHEMBL4479182

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2016
Volume: 59
Issue: 15
First Page: 7097
Last Page: 7110
DOI: 10.1021/acs.jmedchem.6b00428

Standard Type	Standard Relation	Standard Value	Standard Units
F	=	8	%

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: CHEMBL922191

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	1.3
Ratio CC50/EC50	=	7.3
Ratio CC50/EC50	=	0.5
Ratio CC50/EC50	=	11.4
Ratio CC50/EC50	>=	30.3
Ratio CC50/EC50	=	4.4
Ratio CC50/EC50	=	22.3

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: CHEMBL922192

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	1.3
Ratio CC50/EC50	=	5.8
Ratio CC50/EC50	=	0.5
Ratio CC50/EC50	=	7.5
Ratio CC50/EC50	>=	32.3
Ratio CC50/EC50	=	6.5
Ratio CC50/EC50	=	21.9

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: CHEMBL922193

Protocol: N/A

Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 6
First Page: 2268
Last Page: 2273
DOI: 10.1128/aac.01422-06

Standard Type	Standard Relation	Standard Value
Ratio CC50/EC50	=	1.7
Ratio CC50/EC50	=	8.8
Ratio CC50/EC50	=	0.4
Ratio CC50/EC50	=	9.7
Ratio CC50/EC50	>=	36.3
Ratio CC50/EC50	=	4.6
Ratio CC50/EC50	=	23.8

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

来源：ChEMBL 靶标：E6SM

External ID: CHEMBL677665

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 9
First Page: 1918
Last Page: 1929
DOI: 10.1021/jm011095y

Target ChEMBL ID: CHEMBL614149
ChEMBL Target Name: E6SM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
EC50	=	7	ug.mL-1
EC50	>	400	ug.mL-1	Outside typical range
EC50	=	24	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：Severe acute respiratory syndrome coronavirus 2

External ID: CHEMBL4513082

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: SARS-CoV-2 Screening Data

Standard Type	Standard Relation	Standard Value	Standard Units
Inhibition	=	0.24	%
Inhibition	=	4.58	%
Inhibition	=	-0.3	%
Inhibition	=	-0.3	%
Inhibition	=	-0.04	%
Inhibition	=	-0.04	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	0.03	%
Inhibition	=	0	%
Inhibition	=	-0.27	%
Inhibition	=	-0.27	%
Inhibition	=	-0.08	%
Inhibition	=	-0.08	%
Inhibition	=	14.41	%
Inhibition	=	0.39	%

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

来源：ChEMBL 靶标：E6SM

External ID: CHEMBL674408

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 9
First Page: 1918
Last Page: 1929
DOI: 10.1021/jm011095y

Target ChEMBL ID: CHEMBL614149
ChEMBL Target Name: E6SM
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
EC50	=	7	ug.mL-1
EC50	>	400	ug.mL-1	Outside typical range
EC50	=	6.5	ug.mL-1

106941-25-7 靶点实验数据