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

来源：ChEMBL 靶标：Acetylcholinesterase

External ID: CHEMBL829841

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: 8
First Page: 2906
Last Page: 2915
DOI: 10.1021/jm049011j

Target ChEMBL ID: CHEMBL220
ChEMBL Target Name: Acetylcholinesterase
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
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	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：Liver carboxylesterase 1

External ID: CHEMBL1019596

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: 2009
Volume: 17
Issue: 1
First Page: 149
Last Page: 164
DOI: 10.1016/j.bmc.2008.11.008

Target ChEMBL ID: CHEMBL2265
ChEMBL Target Name: Acyl coenzyme A:cholesterol acyltransferase
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	Activity Comment
0.36308	Ki	=	363.08	nM
0.20893	Ki	=	208.93	nM
0.0302	Ki	=	30.2	nM
1.1749	Ki	=	1174.9	nM
0.25704	Ki	=	257.04	nM
1.65959	Ki	=	1659.59	nM
0.04786	Ki	=	47.86	nM
0.15849	Ki	=	158.49	nM
18.197	Ki	=	18197.01	nM
3.31131	Ki	=	3311.31	nM
0.07762	Ki	=	77.62	nM
0.22909	Ki	=	229.09	nM
0.18197	Ki	=	181.97	nM
0.1	Ki	=	100	nM
0.17378	Ki	=	173.78	nM
0.2138	Ki	=	213.8	nM
1.69824	Ki	=	1698.24	nM
0.007943	Ki	=	7.943	nM
	pKi				Not Determined
0.37154	Ki	=	371.54	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: CHEMBL1019597

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: 2009
Volume: 17
Issue: 1
First Page: 149
Last Page: 164
DOI: 10.1016/j.bmc.2008.11.008

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
2.39883	Ki	=	2398.83	nM
0.007079	Ki	=	7.079	nM
0.002188	Ki	=	2.188	nM
8.51138	Ki	=	8511.38	nM
0.001047	Ki	=	1.047	nM
0.21878	Ki	=	218.78	nM
0.02399	Ki	=	23.99	nM
0.01622	Ki	=	16.22	nM
0.26915	Ki	=	269.15	nM
0.03631	Ki	=	36.31	nM
0.01514	Ki	=	15.14	nM
0.39811	Ki	=	398.11	nM
0.00955	Ki	=	9.55	nM
0.10715	Ki	=	107.15	nM
0.19953	Ki	=	199.53	nM
0.02188	Ki	=	21.88	nM
0.83176	Ki	=	831.76	nM
0.006166	Ki	=	6.166	nM
0.52481	Ki	=	524.81	nM
0.04786	Ki	=	47.86	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: CHEMBL1019595

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: 2009
Volume: 17
Issue: 1
First Page: 149
Last Page: 164
DOI: 10.1016/j.bmc.2008.11.008

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units
6.60693	Ki	=	6606.93	nM
0.23442	Ki	=	234.42	nM
0.05754	Ki	=	57.54	nM
7.94328	Ki	=	7943.28	nM
0.08511	Ki	=	85.11	nM
0.35481	Ki	=	354.81	nM
0.0182	Ki	=	18.2	nM
0.02291	Ki	=	22.91	nM
0.39811	Ki	=	398.11	nM
0.008913	Ki	=	8.913	nM
0.02138	Ki	=	21.38	nM
0.16596	Ki	=	165.96	nM
0.10715	Ki	=	107.15	nM
0.004074	Ki	=	4.074	nM
0.01023	Ki	=	10.23	nM
0.0309	Ki	=	30.9	nM
0.38019	Ki	=	380.19	nM
0.005623	Ki	=	5.623	nM
0.20893	Ki	=	208.93	nM
0.25704	Ki	=	257.04	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: CHEMBL1019604

Protocol: N/A

Comment: Journal: Bioorg. Med. Chem.
Year: 2009
Volume: 17
Issue: 1
First Page: 149
Last Page: 164
DOI: 10.1016/j.bmc.2008.11.008

Standard Type	Standard Relation	Standard Value
LogP	=	1.02
LogP	=	4.3
LogP	=	2.11
LogP	=	1.53
LogP	=	4.7
LogP	=	0.9
LogP	=	3.38
LogP	=	2.84
LogP	=	2.84
LogP	=	4.61
LogP	=	4.61
LogP	=	1.24
LogP	=	5.73
LogP	=	4.9
LogP	=	4.17
LogP	=	4.67
LogP	=	-3.2
LogP	=	4.04
LogP	=	4.16
LogP	=	3.76

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

来源：ChEMBL 靶标：Cocaine esterase

External ID: CHEMBL839684

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: 8
First Page: 2906
Last Page: 2915
DOI: 10.1021/jm049011j

Target ChEMBL ID: CHEMBL3180
ChEMBL Target Name: Carboxylesterase 2
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
0.0147	Ki	=	14.7	nM
2.22	Ki	=	2220	nM
0.353	Ki	=	353	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
1.73	Ki	=	1730	nM
1.84	Ki	=	1840	nM
100	Ki	>	100000	nM
0.0182	Ki	=	18.2	nM
0.0228	Ki	=	22.8	nM
100	Ki	>	100000	nM
0.397	Ki	=	397	nM
1.2	Ki	=	1200	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
0.0089	Ki	=	8.9	nM
0.0213	Ki	=	21.3	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM

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

来源：BindingDB 靶标：N/A

External ID: BindingDB_2621_1

Protocol: N/A

Comment: Compounds with any of Ki, IC50, Kd, or EC50 activity value <= 10uM are labeled as "Active".
If multiple measurements are available for a given compound, it is labeled as "Active" if any of the measurements meet the criterion. Activity values are checked in the order of Ki, IC50, Kd, and EC50. The first entry that meets the above activity threshold is used to determine "Standard Type", "Standard Relation", and "PubChem Standard Value". Otherwise, the first non-empty entry will be used to set those values.

Standard Type	Standard Relation	PubChem Standard Value	Ki Qualifier	Ki	Target Accession(s)	Ligand	Target
Ki	>	100	>	100000	P22303	BDBM22722	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22722	Cholinesterase
Ki		1.84		1840	P00748	BDBM22724	Coagulation factor XII
Ki		5.27		5270	P23141	BDBM22724	Liver carboxylesterase 1
Ki		4.93		4930	P12337	BDBM22724	Liver carboxylesterase 1
Ki	>	100	>	100000	P22303	BDBM22724	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22724	Cholinesterase
Ki	>	100	>	100000	P00748	BDBM22725	Coagulation factor XII
Ki	>	100	>	100000	P23141	BDBM22725	Liver carboxylesterase 1
Ki	>	100	>	100000	P12337	BDBM22725	Liver carboxylesterase 1
Ki	>	100	>	100000	P22303	BDBM22725	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22725	Cholinesterase
Ki	>	100	>	100000	P00748	BDBM22726	Coagulation factor XII
Ki	>	100	>	100000	P23141	BDBM22726	Liver carboxylesterase 1
Ki	>	100	>	100000	P12337	BDBM22726	Liver carboxylesterase 1
Ki	>	100	>	100000	P22303	BDBM22726	Acetylcholinesterase
Ki	>	100	>	100000	P06276	BDBM22726	Cholinesterase
Ki	>	100	>	100000	P00748	BDBM22727	Coagulation factor XII
Ki		26		26000	P23141	BDBM22727	Liver carboxylesterase 1
Ki		3.95		3950	P12337	BDBM22727	Liver carboxylesterase 1

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

来源：ChEMBL 靶标：Liver carboxylesterase 1

External ID: CHEMBL828256

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: 8
First Page: 2906
Last Page: 2915
DOI: 10.1021/jm049011j

Target ChEMBL ID: CHEMBL2623
ChEMBL Target Name: Acyl coenzyme A:cholesterol acyltransferase
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
0.103	Ki	=	103	nM
100	Ki	>	100000	nM
0.22	Ki	=	220	nM
15.7	Ki	=	15700	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
4.93	Ki	=	4930	nM
100	Ki	>	100000	nM
0.0239	Ki	=	23.9	nM
0.0162	Ki	=	16.2	nM
13.9	Ki	=	13900	nM
0.267	Ki	=	267	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
0.036	Ki	=	36	nM
0.015	Ki	=	15	nM
100	Ki	>	100000	nM
100	Ki	>	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：Cholinesterase

External ID: CHEMBL828255

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: 8
First Page: 2906
Last Page: 2915
DOI: 10.1021/jm049011j

Target ChEMBL ID: CHEMBL1914
ChEMBL Target Name: Butyrylcholinesterase
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
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	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：Liver carboxylesterase 1

External ID: CHEMBL828284

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: 8
First Page: 2906
Last Page: 2915
DOI: 10.1021/jm049011j

Target ChEMBL ID: CHEMBL2265
ChEMBL Target Name: Acyl coenzyme A:cholesterol acyltransferase
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
0.0451	Ki	=	45.1	nM
7.25	Ki	=	7250	nM
1.65	Ki	=	1650	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
5.27	Ki	=	5270	nM
100	Ki	>	100000	nM
0.0474	Ki	=	47.4	nM
0.16	Ki	=	160	nM
100	Ki	>	100000	nM
18.1	Ki	=	18100	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM
3.3	Ki	=	3300	nM
0.0776	Ki	=	77.6	nM
100	Ki	>	100000	nM
100	Ki	>	100000	nM

56159-70-7 靶点实验数据