BDBM50177313 2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzyl]-1,1-dioxo-tetrahydro-thiophene-3-carboxylic acid hydroxyamide::CHEMBL203972

SMILES: Cc1cc(COc2ccc(CC3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1

InChI Key: InChIKey=BZIUKEPVFXHVPZ-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50177313   

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))	BDBM50177313 (2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzyl]-1,1-d...) Show SMILES Cc1cc(COc2ccc(CC3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1 Show InChI InChI=1S/C23H24N2O5S/c1-15-12-17(19-4-2-3-5-21(19)24-15)14-30-18-8-6-16(7-9-18)13-22-20(23(26)25-27)10-11-31(22,28)29/h2-9,12,20,22,27H,10-11,13-14H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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: 1028-31 (2006) Article DOI: 10.1016/j.bmcl.2005.10.078 BindingDB Entry DOI: 10.7270/Q26Q1WTM
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50177313 (2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzyl]-1,1-d...) Show SMILES Cc1cc(COc2ccc(CC3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1 Show InChI InChI=1S/C23H24N2O5S/c1-15-12-17(19-4-2-3-5-21(19)24-15)14-30-18-8-6-16(7-9-18)13-22-20(23(26)25-27)10-11-31(22,28)29/h2-9,12,20,22,27H,10-11,13-14H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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: 1028-31 (2006) Article DOI: 10.1016/j.bmcl.2005.10.078 BindingDB Entry DOI: 10.7270/Q26Q1WTM
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50177313 (2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzyl]-1,1-d...) Show SMILES Cc1cc(COc2ccc(CC3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1 Show InChI InChI=1S/C23H24N2O5S/c1-15-12-17(19-4-2-3-5-21(19)24-15)14-30-18-8-6-16(7-9-18)13-22-20(23(26)25-27)10-11-31(22,28)29/h2-9,12,20,22,27H,10-11,13-14H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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: 1028-31 (2006) Article DOI: 10.1016/j.bmcl.2005.10.078 BindingDB Entry DOI: 10.7270/Q26Q1WTM
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50177313 (2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzyl]-1,1-d...) Show SMILES Cc1cc(COc2ccc(CC3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1 Show InChI InChI=1S/C23H24N2O5S/c1-15-12-17(19-4-2-3-5-21(19)24-15)14-30-18-8-6-16(7-9-18)13-22-20(23(26)25-27)10-11-31(22,28)29/h2-9,12,20,22,27H,10-11,13-14H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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: 1028-31 (2006) Article DOI: 10.1016/j.bmcl.2005.10.078 BindingDB Entry DOI: 10.7270/Q26Q1WTM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50177313 (2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzyl]-1,1-d...) Show SMILES Cc1cc(COc2ccc(CC3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1 Show InChI InChI=1S/C23H24N2O5S/c1-15-12-17(19-4-2-3-5-21(19)24-15)14-30-18-8-6-16(7-9-18)13-22-20(23(26)25-27)10-11-31(22,28)29/h2-9,12,20,22,27H,10-11,13-14H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against TACE				Bioorg Med Chem Lett 16: 1028-31 (2006) Article DOI: 10.1016/j.bmcl.2005.10.078 BindingDB Entry DOI: 10.7270/Q26Q1WTM
					More data for this Ligand-Target Pair