BDBM50183731 CHEMBL207709::N-(4-(2-(hydroxyamino)-2-oxoethyl)-1-(2-methylbut-3-yn-2-yl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide

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

InChI Key: InChIKey=ALAICNBWAOLDPL-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 = 50183731   

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))	BDBM50183731 (CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1 Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)	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))	BDBM50183731 (CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1 Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)	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))	BDBM50183731 (CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1 Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)	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))	BDBM50183731 (CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1 Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)	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))	BDBM50183731 (CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1 Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	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))	BDBM50183731 (CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1 Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)	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	490	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