BDBM50173229 (S)-2-{4'-[(5-Cyano-4-methoxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid::CHEMBL365947

SMILES: COc1c(ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12)C#N

InChI Key: InChIKey=WXPUJRINFGPEGC-VWLOTQADSA-N

Data: 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 2 hits for monomerid = 50173229   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50173229 ((S)-2-{4'-[(5-Cyano-4-methoxy-3-methyl-benzofuran-...) Show SMILES COc1c(ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12)C#N Show InChI InChI=1S/C29H27N3O7S/c1-16(2)25(29(34)35)32-40(36,37)22-12-7-19(8-13-22)18-5-10-21(11-6-18)31-28(33)26-17(3)24-23(39-26)14-9-20(15-30)27(24)38-4/h5-14,16,25,32H,1-4H3,(H,31,33)(H,34,35)/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	522	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-2				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50173229 ((S)-2-{4'-[(5-Cyano-4-methoxy-3-methyl-benzofuran-...) Show SMILES COc1c(ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12)C#N Show InChI InChI=1S/C29H27N3O7S/c1-16(2)25(29(34)35)32-40(36,37)22-12-7-19(8-13-22)18-5-10-21(11-6-18)31-28(33)26-17(3)24-23(39-26)14-9-20(15-30)27(24)38-4/h5-14,16,25,32H,1-4H3,(H,31,33)(H,34,35)/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	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
					More data for this Ligand-Target Pair