BDBM50183713 CHEMBL208172::N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide

SMILES: CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

InChI Key: InChIKey=CTANAKVMPKAIQD-UHFFFAOYSA-N

Data: 4 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50183713   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50183713 (CHEMBL208172 | N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-...) Show SMILES CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C29H36N4O6S/c1-3-40(37,38)17-16-33-14-12-29(13-15-33,19-27(34)32-36)31-28(35)22-8-10-24(11-9-22)39-20-23-18-21(2)30-26-7-5-4-6-25(23)26/h4-11,18,36H,3,12-17,19-20H2,1-2H3,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to MMP9				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50183713 (CHEMBL208172 | N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-...) Show SMILES CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C29H36N4O6S/c1-3-40(37,38)17-16-33-14-12-29(13-15-33,19-27(34)32-36)31-28(35)22-8-10-24(11-9-22)39-20-23-18-21(2)30-26-7-5-4-6-25(23)26/h4-11,18,36H,3,12-17,19-20H2,1-2H3,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to MMP2				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50183713 (CHEMBL208172 | N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-...) Show SMILES CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C29H36N4O6S/c1-3-40(37,38)17-16-33-14-12-29(13-15-33,19-27(34)32-36)31-28(35)22-8-10-24(11-9-22)39-20-23-18-21(2)30-26-7-5-4-6-25(23)26/h4-11,18,36H,3,12-17,19-20H2,1-2H3,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to MMP1				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50183713 (CHEMBL208172 | N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-...) Show SMILES CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C29H36N4O6S/c1-3-40(37,38)17-16-33-14-12-29(13-15-33,19-27(34)32-36)31-28(35)22-8-10-24(11-9-22)39-20-23-18-21(2)30-26-7-5-4-6-25(23)26/h4-11,18,36H,3,12-17,19-20H2,1-2H3,(H,31,35)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to MMP13				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
					More data for this Ligand-Target Pair
ADAM17 (Sus scrofa (pig))	BDBM50183713 (CHEMBL208172 | N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-...) Show SMILES CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C29H36N4O6S/c1-3-40(37,38)17-16-33-14-12-29(13-15-33,19-27(34)32-36)31-28(35)22-8-10-24(11-9-22)39-20-23-18-21(2)30-26-7-5-4-6-25(23)26/h4-11,18,36H,3,12-17,19-20H2,1-2H3,(H,31,35)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine TACE				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50183713 (CHEMBL208172 | N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-...) Show SMILES CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C29H36N4O6S/c1-3-40(37,38)17-16-33-14-12-29(13-15-33,19-27(34)32-36)31-28(35)22-8-10-24(11-9-22)39-20-23-18-21(2)30-26-7-5-4-6-25(23)26/h4-11,18,36H,3,12-17,19-20H2,1-2H3,(H,31,35)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of LPS-stimulated TNFalpha production in human whole blood				Bioorg Med Chem Lett 16: 2699-704 (2006) Article DOI: 10.1016/j.bmcl.2006.02.015 BindingDB Entry DOI: 10.7270/Q2TB16H3
					More data for this Ligand-Target Pair