BDBM50086923 4-[4''-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-biphenyl-4-yloxysulfonyl]-2-hydroxy-benzoic acid::4-[4'-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-biphenyl-4-yloxysulfonyl]-2-hydroxy-benzoic acid::CHEMBL24331

SMILES: OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12

InChI Key: InChIKey=HMKCTLQYWFHDFG-UHFFFAOYSA-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 = 50086923   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50086923 (4-[4''-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-bi...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C39H32O7S/c40-34-24-30(19-20-31(34)39(41)42)47(43,44)46-36-21-18-29(23-33(36)27-10-4-5-11-27)26-14-16-28(17-15-26)38-32-12-6-7-13-35(32)45-37(38)22-25-8-2-1-3-9-25/h1-3,6-9,12-21,23-24,27,40H,4-5,10-11,22H2,(H,41,42)	PDB MMDB NCI pathway 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	28.1	n/a	n/a	n/a	n/a	n/a	n/a
Leadscope, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of tyrosine phosphatase 1B				J Med Chem 47: 5984-94 (2004) Article DOI: 10.1021/jm0497242 BindingDB Entry DOI: 10.7270/Q2416Z8N
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50086923 (4-[4''-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-bi...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 Show InChI InChI=1S/C39H32O7S/c40-34-24-30(19-20-31(34)39(41)42)47(43,44)46-36-21-18-29(23-33(36)27-10-4-5-11-27)26-14-16-28(17-15-26)38-32-12-6-7-13-35(32)45-37(38)22-25-8-2-1-3-9-25/h1-3,6-9,12-21,23-24,27,40H,4-5,10-11,22H2,(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair