BDBM50110345 3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[4-(pyrrolidine-1-sulfonyl)-phenylamino]-propionic acid::CHEMBL159990

SMILES: COc1cccc(OC)c1-c1ccc(CC(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)C(O)=O)cc1

InChI Key: InChIKey=ARHVKEJLUPSIFR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50110345   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50110345 (3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[4-(pyrrolidin...) Show SMILES COc1cccc(OC)c1-c1ccc(CC(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)C(O)=O)cc1 Show InChI InChI=1S/C27H30N2O6S/c1-34-24-6-5-7-25(35-2)26(24)20-10-8-19(9-11-20)18-23(27(30)31)28-21-12-14-22(15-13-21)36(32,33)29-16-3-4-17-29/h5-15,23,28H,3-4,16-18H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of [125I]VCAM-Ig binding to very late antigen -4 on jurkat cells.				Bioorg Med Chem Lett 12: 729-31 (2002) BindingDB Entry DOI: 10.7270/Q2PN96XC
					More data for this Ligand-Target Pair