BDBM50110331 2-(3,5-Dichloro-phenylamino)-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid::CHEMBL354464

SMILES: COc1cccc(OC)c1-c1ccc(CC(Nc2cc(Cl)cc(Cl)c2)C(O)=O)cc1

InChI Key: InChIKey=LNBVIKRDKWFEFG-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 = 50110331   

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))	BDBM50110331 (2-(3,5-Dichloro-phenylamino)-3-(2',6'-dimethoxy-bi...) Show SMILES COc1cccc(OC)c1-c1ccc(CC(Nc2cc(Cl)cc(Cl)c2)C(O)=O)cc1 Show InChI InChI=1S/C23H21Cl2NO4/c1-29-20-4-3-5-21(30-2)22(20)15-8-6-14(7-9-15)10-19(23(27)28)26-18-12-16(24)11-17(25)13-18/h3-9,11-13,19,26H,10H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.49E+3	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