BDBM50124234 2-{[3-((S)-Benzenesulfonyl)-tetrahydro-furan-3-carbonyl]-amino}-3-(2'-methoxy-biphenyl-4-yl)-propionic acid::CHEMBL171663

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCOC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=SMZRAZWAVQZBEC-DCCUJTHKSA-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 = 50124234   

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
Integrin α4β7 (Homo sapiens (Human))	BDBM50124234 (2-{[3-((S)-Benzenesulfonyl)-tetrahydro-furan-3-car...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCOC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C27H27NO7S/c1-34-24-10-6-5-9-22(24)20-13-11-19(12-14-20)17-23(25(29)30)28-26(31)27(15-16-35-18-27)36(32,33)21-7-3-2-4-8-21/h2-14,23H,15-18H2,1H3,(H,28,31)(H,29,30)/t23-,27?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand				Bioorg Med Chem Lett 13: 885-90 (2003) BindingDB Entry DOI: 10.7270/Q2X34WVH
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50124234 (2-{[3-((S)-Benzenesulfonyl)-tetrahydro-furan-3-car...) Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCOC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C27H27NO7S/c1-34-24-10-6-5-9-22(24)20-13-11-19(12-14-20)17-23(25(29)30)28-26(31)27(15-16-35-18-27)36(32,33)21-7-3-2-4-8-21/h2-14,23H,15-18H2,1H3,(H,28,31)(H,29,30)/t23-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards VLA-4 (alpha4 beta-1) receptor in human Jurkat cells using [125I]VCAM-Ig as radioligand				Bioorg Med Chem Lett 13: 885-90 (2003) BindingDB Entry DOI: 10.7270/Q2X34WVH
					More data for this Ligand-Target Pair