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

来源：ChEMBL 靶标：Disintegrin and metalloproteinase domain-containing protein 17

External ID: CHEMBL3868407

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL3706
ChEMBL Target Name: ADAM17
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
10	IC50	>	10000	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: CHEMBL4000943

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	>	27000

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: CHEMBL4000942

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	>	27000

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

来源：Shanghai Institute of Organic Chemistry 靶标：N/A

External ID: PDBbind-IC50 for protein-ligand complexes

Protocol:

Comment:

PDBbind Data Link	Affinity_Quilifier	IC50	PubMed	Protein Target	Protein Name	MMDB	PDB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a5v	=	800	9560188	1A5V_A	hiv-1 integrase	47769	1A5V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1a86	=	101	9655333	1A86_A	matrix metalloproteinase 8	103932	1A86
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1aq1	=	0.007	9334743	1AQ1_A	cell division protein kinase 2	55315	1AQ1
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1b9v	=	224	10547289	1B9V_A	neuraminidase	12109	1B9V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bji	=	0.002	9526556	1BJI_A	neuraminidase	55572	1BJI
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bl6	=	0.16	9753691	1BL6_A	p38 map kinase	10741	1BL6
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bl7	=	0.019	9753691	1BL7_A	p38 map kinase	10742	1BL7
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bmb	=	0.7	10090780	1BMB_A	growth factor receptor bound protein 2	11943	1BMB
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bqm	=	0.045	9813120	1BQM_A,1BQM_B	hiv-1 reverse transcriptase	8918	1BQM
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bqo	=	0.0184	9733482	1BQO_B	stromelysin-1	10761	1BQO
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bug	=	43	9846879	1BUG_A	catechol oxidase	11222	1BUG
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1bzs	=	0.01	10354399	1BZS_A	neutrophil collagenase (mmp8)	13354	1BZS
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c29	=	0.472	10504236	1C29_A	tryptophan synthase	12415	1C29
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c3i	=	1.6	10877850	1C3I_B	stromelysin-1	13815	1C3I
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c8k	=	1	10924512	1C8K_A	glycogen phosphorylase	13391	1C8K
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1c8v	=	0.472	10504236	1C8V_A	tryptophan synthase (alpha chain)	12428	1C8V
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1cw2	=	0.715	10504236	1CW2_A	tryptophan synthase (alpha chain)	11701	1CW2
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1cx9	=	0.178	10504236	1CX9_A	tryptophan synthase (alpha chain)	11702	1CX9
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1d7x	=	0.003	10639284	1D7X_A,1D7X_B	stromelysin-1 precursor	14788	1D7X
http://www.pdbbind.org.cn/quickpdb.asp?quickpdb=1dbj	=	0.021	8413674	1DBJ_L,1DBJ_H	antibody fab fragment	734	1DBJ

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

来源：ChEMBL 靶标：72 kDa type IV collagenase

External ID: CHEMBL4000925

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: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Target ChEMBL ID: CHEMBL333
ChEMBL Target Name: Matrix metalloproteinase-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	Activity Comment
0.18	IC50	=	180	nM
0.014	IC50	=	14	nM
	IC50				Not Determined
0.23	IC50	=	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：Collagenase 3

External ID: CHEMBL3373425

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: 19
First Page: 5487
Last Page: 5505
DOI: 10.1016/j.bmc.2014.07.025

Target ChEMBL ID: CHEMBL280
ChEMBL Target Name: Matrix metalloproteinase 13
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
0.026	IC50	=	26	nM
10	IC50	>	10000	nM
0.0011	IC50	=	1.1	nM
0.0012	IC50	=	1.2	nM
0.0031	IC50	=	3.1	nM
0.024	IC50	=	24	nM
0.76	IC50	=	760	nM
6.9E-6	IC50	=	0.0069	nM	Outside typical range
5.0E-6	IC50	=	0.005	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：Collagenase 3

External ID: CHEMBL3868397

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL280
ChEMBL Target Name: Matrix metalloproteinase 13
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
5.1E-5	IC50	=	0.051	nM
1.9E-4	IC50	=	0.19	nM

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

来源：ChEMBL 靶标：Interstitial collagenase

External ID: CHEMBL3868398

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL332
ChEMBL Target Name: Matrix metalloproteinase-1
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	IC50	=	11	nM

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

来源：ChEMBL 靶标：Collagenase 3

External ID: CHEMBL3388707

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: 2014
Volume: 57
Issue: 21
First Page: 8886
Last Page: 8902
DOI: 10.1021/jm500981k

Target ChEMBL ID: CHEMBL280
ChEMBL Target Name: Matrix metalloproteinase 13
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
0.026	IC50	=	26	nM
0.011	IC50	=	11	nM
0.0098	IC50	=	9.8	nM
9.9E-4	IC50	=	0.99	nM

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

来源：ChEMBL 靶标：Stromelysin-2

External ID: CHEMBL4000927

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: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Target ChEMBL ID: CHEMBL4270
ChEMBL Target Name: Matrix metalloproteinase 10
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
0.055	IC50	=	55	nM
0.03	IC50	=	30	nM
	IC50				Not Determined
1	IC50	>	1000	nM

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

来源：ChEMBL 靶标：Neutrophil collagenase

External ID: CHEMBL4000926

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: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Target ChEMBL ID: CHEMBL4588
ChEMBL Target Name: Matrix metalloproteinase 8
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
10	IC50	>	10000	nM
0.011	IC50	=	11	nM
	IC50				Not Determined
0.51	IC50	=	510	nM

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

来源：ChEMBL 靶标：Matrix metalloproteinase-9

External ID: CHEMBL3868403

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL321
ChEMBL Target Name: Matrix metalloproteinase 9
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
0.0047	IC50	=	4.7	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4000939

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	>	27000

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

来源：ChEMBL 靶标：Stromelysin-2

External ID: CHEMBL3868404

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL4270
ChEMBL Target Name: Matrix metalloproteinase 10
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
3.5E-4	IC50	=	0.35	nM
0.01	IC50	<	10	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: CHEMBL4000938

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	>	27000

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: CHEMBL4000941

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	>	27000

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

来源：ChEMBL 靶标：Matrix metalloproteinase-14

External ID: CHEMBL3868406

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL3869
ChEMBL Target Name: Matrix metalloproteinase 14
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
0.0038	IC50	=	3.8	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4000940

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	>	27000

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

来源：ChEMBL 靶标：72 kDa type IV collagenase

External ID: CHEMBL3868399

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL333
ChEMBL Target Name: Matrix metalloproteinase-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
0.003	IC50	=	3	nM
0.01	IC50	<	10	nM

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

来源：ChEMBL 靶标：Stromelysin-1

External ID: CHEMBL3868400

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL283
ChEMBL Target Name: Matrix metalloproteinase 3
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
0.0015	IC50	=	1.5	nM

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

来源：ChEMBL 靶标：Matrilysin

External ID: CHEMBL3868401

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL4073
ChEMBL Target Name: Matrix metalloproteinase 7
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
0.0073	IC50	=	7.3	nM

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

来源：ChEMBL 靶标：N/A

External ID: CHEMBL4000937

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	>	1500

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

来源：ChEMBL 靶标：Neutrophil collagenase

External ID: CHEMBL3868402

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: 23
First Page: 6149
Last Page: 6165
DOI: 10.1016/j.bmc.2016.09.009

Target ChEMBL ID: CHEMBL4588
ChEMBL Target Name: Matrix metalloproteinase 8
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
0.0013	IC50	=	1.3	nM
0.01	IC50	<	10	nM

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

来源：ChEMBL 靶标：MMP-2/MMP-13

External ID: CHEMBL4000936

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2017
Volume: 60
Issue: 2
First Page: 608
Last Page: 626
DOI: 10.1021/acs.jmedchem.6b01007

Target ChEMBL ID: CHEMBL4523970
ChEMBL Target Name: MMP-2/MMP-13
ChEMBL Target Type: SELECTIVITY GROUP - Target is a pair of proteins for which the selectivity has been assessed
Relationship Type: D - Direct protein target assigned
Confidence: Multiple direct protein targets may be assigned

Standard Type	Standard Relation	Standard Value
Ratio IC50	=	25
Ratio IC50	=	5000

869293-46-9 靶点实验数据