BDBM50183717 CHEMBL382352::N-(4-(2-(hydroxyamino)-2-oxoethyl)-1-(2-(methylsulfonyl)ethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide

SMILES: Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1

InChI Key: InChIKey=MJYOLQLJRBLLML-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 = 50183717   

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))	BDBM50183717 (CHEMBL382352 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H34N4O6S/c1-20-17-22(24-5-3-4-6-25(24)29-20)19-38-23-9-7-21(8-10-23)27(34)30-28(18-26(33)31-35)11-13-32(14-12-28)15-16-39(2,36)37/h3-10,17,35H,11-16,18-19H2,1-2H3,(H,30,34)(H,31,33)	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))	BDBM50183717 (CHEMBL382352 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H34N4O6S/c1-20-17-22(24-5-3-4-6-25(24)29-20)19-38-23-9-7-21(8-10-23)27(34)30-28(18-26(33)31-35)11-13-32(14-12-28)15-16-39(2,36)37/h3-10,17,35H,11-16,18-19H2,1-2H3,(H,30,34)(H,31,33)	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))	BDBM50183717 (CHEMBL382352 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H34N4O6S/c1-20-17-22(24-5-3-4-6-25(24)29-20)19-38-23-9-7-21(8-10-23)27(34)30-28(18-26(33)31-35)11-13-32(14-12-28)15-16-39(2,36)37/h3-10,17,35H,11-16,18-19H2,1-2H3,(H,30,34)(H,31,33)	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))	BDBM50183717 (CHEMBL382352 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H34N4O6S/c1-20-17-22(24-5-3-4-6-25(24)29-20)19-38-23-9-7-21(8-10-23)27(34)30-28(18-26(33)31-35)11-13-32(14-12-28)15-16-39(2,36)37/h3-10,17,35H,11-16,18-19H2,1-2H3,(H,30,34)(H,31,33)	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50183717 (CHEMBL382352 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H34N4O6S/c1-20-17-22(24-5-3-4-6-25(24)29-20)19-38-23-9-7-21(8-10-23)27(34)30-28(18-26(33)31-35)11-13-32(14-12-28)15-16-39(2,36)37/h3-10,17,35H,11-16,18-19H2,1-2H3,(H,30,34)(H,31,33)	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	45	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
ADAM17 (Sus scrofa (pig))	BDBM50183717 (CHEMBL382352 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CCS(C)(=O)=O)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H34N4O6S/c1-20-17-22(24-5-3-4-6-25(24)29-20)19-38-23-9-7-21(8-10-23)27(34)30-28(18-26(33)31-35)11-13-32(14-12-28)15-16-39(2,36)37/h3-10,17,35H,11-16,18-19H2,1-2H3,(H,30,34)(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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