BDBM50173237 (S)-2-{4'-[(5-Acetyl-4-hydroxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid::CHEMBL199018

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3ccc(C(C)=O)c(O)c3c2C)cc1)C(O)=O

InChI Key: InChIKey=XTRLBSLKNQZDBD-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 = 50173237   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50173237 ((S)-2-{4'-[(5-Acetyl-4-hydroxy-3-methyl-benzofuran...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3ccc(C(C)=O)c(O)c3c2C)cc1)C(O)=O Show InChI InChI=1S/C29H28N2O8S/c1-15(2)25(29(35)36)31-40(37,38)21-11-7-19(8-12-21)18-5-9-20(10-6-18)30-28(34)27-16(3)24-23(39-27)14-13-22(17(4)32)26(24)33/h5-15,25,31,33H,1-4H3,(H,30,34)(H,35,36)/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	3.20	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50173237 ((S)-2-{4'-[(5-Acetyl-4-hydroxy-3-methyl-benzofuran...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3ccc(C(C)=O)c(O)c3c2C)cc1)C(O)=O Show InChI InChI=1S/C29H28N2O8S/c1-15(2)25(29(35)36)31-40(37,38)21-11-7-19(8-12-21)18-5-9-20(10-6-18)30-28(34)27-16(3)24-23(39-27)14-13-22(17(4)32)26(24)33/h5-15,25,31,33H,1-4H3,(H,30,34)(H,35,36)/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	63	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