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: CHEMBL633257

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 9
First Page: 2358
Last Page: 2368
DOI: 10.1021/jm00171a008

Standard Type	Standard Relation	Standard Value
pKa	=	4.2
pKa	=	4.2
pKa	=	3.95
pKa	=	4.1
pKa	=	4.1
pKa	=	4.3
pKa	=	4.4
pKa	=	4.22
pKa	=	4.13
pKa	=	4.24
pKa	=	4.2
pKa	=	4.2
pKa	=	4.14
pKa	=	4.3
pKa	=	4.2
pKa	=	4.31

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: CHEMBL635471

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 9
First Page: 2358
Last Page: 2368
DOI: 10.1021/jm00171a008

Standard Type	Standard Relation	Standard Value
LogD	=	1
LogD	=	1.24
LogD	=	1.18
LogD	=	0.91
LogD	=	1.64
LogD	=	0.19
LogD	=	1.8
LogD	=	0.7
LogD	=	1.03
LogD	=	0.76
LogD	=	0.27
LogD	=	0.25
LogD	=	1.64
LogD	=	1.44
LogD	=	1.17
LogD	=	1.13
LogD	=	1.54
LogD	=	0.72
LogD	=	1.66
LogD	=	1.98

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: CHEMBL5166495

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2022
Volume: 65
Issue: 9.0
First Page: 6656
Last Page: 6676
DOI: 10.1021/acs.jmedchem.1c02177

Standard Type	Standard Text Value
Drug metabolism	Metabolite_Detected

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

来源：ChEMBL 靶标：Calcium/calmodulin-dependent protein kinase type II subunit alpha

External ID: CHEMBL5166478

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: 2022
Volume: 65
Issue: 9.0
First Page: 6656
Last Page: 6676
DOI: 10.1021/acs.jmedchem.1c02177

Target ChEMBL ID: CHEMBL2359
ChEMBL Target Name: CaM kinase II alpha
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
0.07	Ki	=	70	nM
0.0631	Ki	=	63.1	nM
0.033	Ki	=	33	nM
20	Ki	=	20000	nM

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

来源：ChEMBL 靶标：Prostaglandin G/H synthase 1

External ID: CHEMBL2432168

Protocol: N/A

Comment: Journal: Med Chem Res
Year: 2013
First Page: 1
Last Page: 8
DOI: 10.1007/s00044-013-0771-5

Target ChEMBL ID: CHEMBL2094253
ChEMBL Target Name: Cyclooxygenase
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
Relationship Type: D - Direct protein target assigned
Confidence: Multiple direct protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
15135.6	IC50	=	1.513561248E7	nM	Outside typical range
17782.8	IC50	=	1.77827941E7	nM	Outside typical range
7079.46	IC50	=	7079457.84	nM	Outside typical range
7079.46	IC50	=	7079457.84	nM	Outside typical range
501187	IC50	=	5.0118723363E8	nM	Outside typical range
446.684	IC50	=	446683.59	nM	Outside typical range
3388.44	IC50	=	3388441.56	nM	Outside typical range
501187	IC50	=	5.0118723363E8	nM	Outside typical range
524807	IC50	=	5.2480746025E8	nM	Outside typical range
66069.3	IC50	=	6.60693448E7	nM	Outside typical range
91201.1	IC50	=	9.120108394E7	nM	Outside typical range
100000	IC50	=	100000000	nM	Outside typical range
165959	IC50	=	1.6595869074E8	nM	Outside typical range
50118.7	IC50	=	5.011872336E7	nM	Outside typical range
14791.1	IC50	=	1.479108388E7	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：Rattus norvegicus

External ID: CHEMBL797721

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 9
First Page: 2358
Last Page: 2368
DOI: 10.1021/jm00171a008

Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
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
Log 1/ED40	=	-0.49
Log 1/ED40	=	-0.96
Log 1/ED40	=	-1.76
Log 1/ED40	=	-1.01
Log 1/ED40	=	-2.94
Log 1/ED40	=	-2.53
Log 1/ED40	=	-0.98
Log 1/ED40	=	-1.59
Log 1/ED40	=	-0.98
Log 1/ED40	=	-2.78
Log 1/ED40	=	-2.47
Log 1/ED40	=	-0.11
Log 1/ED40	=	-0.14
Log 1/ED40	=	-0.74
Log 1/ED40	=	0.03
Log 1/ED40	=	-0.86
Log 1/ED40	=	-1.51
Log 1/ED40	=	-2.23

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

来源：ChEMBL 靶标：Prostaglandin G/H synthase 1

External ID: CHEMBL858257

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1990
Volume: 33
Issue: 9
First Page: 2358
Last Page: 2368
DOI: 10.1021/jm00171a008

Target ChEMBL ID: CHEMBL2096674
ChEMBL Target Name: Cyclooxygenase
ChEMBL Target Type: PROTEIN FAMILY - Target is a group of closely related proteins
Relationship Type: H - Homologous protein target assigned
Confidence: Multiple homologous protein targets may be assigned

PubChem Standard Value	Standard Type	Standard Relation	Standard Value	Standard Units	Data Validity Comment
4897.79	IC50	=	4897788.19	nM	Outside typical range
15135.6	IC50	=	1.513561248E7	nM	Outside typical range
17782.8	IC50	=	1.77827941E7	nM	Outside typical range
7079.46	IC50	=	7079457.84	nM	Outside typical range
7079.46	IC50	=	7079457.84	nM	Outside typical range
501187	IC50	=	5.0118723363E8	nM	Outside typical range
446.684	IC50	=	446683.59	nM	Outside typical range
3388.44	IC50	=	3388441.56	nM	Outside typical range
501187	IC50	=	5.0118723363E8	nM	Outside typical range
524807	IC50	=	5.2480746025E8	nM	Outside typical range
1000000	IC50	=	1000000000	nM	Outside typical range
1000000	IC50	=	1000000000	nM	Outside typical range
66069.3	IC50	=	6.60693448E7	nM	Outside typical range
91201.1	IC50	=	9.120108394E7	nM	Outside typical range
100000	IC50	=	100000000	nM	Outside typical range
165959	IC50	=	1.6595869074E8	nM	Outside typical range
50118.7	IC50	=	5.011872336E7	nM	Outside typical range
14791.1	IC50	=	1.479108388E7	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：Calcium/calmodulin-dependent protein kinase type II subunit alpha

External ID: CHEMBL5099988

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: 2022
Volume: 65
Issue: 22.0
First Page: 15066
Last Page: 15084
DOI: 10.1021/acs.jmedchem.2c00805

Target ChEMBL ID: CHEMBL2359
ChEMBL Target Name: CaM kinase II alpha
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
0.16	Ki	=	160	nM
0.078	Ki	=	78	nM
0.07943	Ki	=	79.43	nM
0.05	Ki	=	50	nM
0.03981	Ki	=	39.81	nM
0.04	Ki	=	40	nM

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

来源：ChEMBL 靶标：Calcium/calmodulin-dependent protein kinase type II subunit alpha

External ID: CHEMBL5099989

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: 2022
Volume: 65
Issue: 22.0
First Page: 15066
Last Page: 15084
DOI: 10.1021/acs.jmedchem.2c00805

Target ChEMBL ID: CHEMBL2359
ChEMBL Target Name: CaM kinase II alpha
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
0.63096	Ki	=	630.96	nM
0.13	Ki	=	130	nM
0.14	Ki	=	140	nM
0.12589	Ki	=	125.89	nM
0.057	Ki	=	57	nM
0.05012	Ki	=	50.12	nM
0.05	Ki	=	50	nM

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

来源：ChEMBL 靶标：Calcium/calmodulin-dependent protein kinase type II subunit alpha

External ID: CHEMBL5099990

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: 2022
Volume: 65
Issue: 22.0
First Page: 15066
Last Page: 15084
DOI: 10.1021/acs.jmedchem.2c00805

Target ChEMBL ID: CHEMBL2359
ChEMBL Target Name: CaM kinase II alpha
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
3.98107	Ki	=	3981.07	nM
1.8	Ki	=	1800	nM
1.4	Ki	=	1400	nM
1.25893	Ki	=	1258.93	nM
0.65	Ki	=	650	nM
0.50119	Ki	=	501.19	nM

69002-84-2 靶点实验数据