BDBM50297239 (S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid::CHEMBL556645

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O

InChI Key: InChIKey=KNWGEVZOUCQOLE-VWLOTQADSA-N

Data: 5 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 = 50297239   

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))	BDBM50297239 ((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50297239 ((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50297239 ((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	581	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50297239 ((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50297239 ((S)-2-(4'-(4-cyano-3-methylbenzofuran-2-carboxamid...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(C#N)c3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25N3O6S/c1-16(2)25(28(33)34)31-38(35,36)22-13-9-19(10-14-22)18-7-11-21(12-8-18)30-27(32)26-17(3)24-20(15-29)5-4-6-23(24)37-26/h4-14,16,25,31H,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair