BDBM50115178 3-(2-(1-Phenyl-vinyl)-3-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-isothioureido)-propionic acid::CHEMBL99797

SMILES: Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(SC(=C)c2ccccc2)=NCCC(O)=O)cc1

InChI Key: InChIKey=OOEIHHQSOIJVGO-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 = 50115178   

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))	BDBM50115178 (3-(2-(1-Phenyl-vinyl)-3-{2-[4-(3-o-tolyl-ureido)-p...) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(SC(=C)c2ccccc2)=NCCC(O)=O)cc1 |w:29.31| Show InChI InChI=1S/C28H28N4O4S/c1-19-8-6-7-11-24(19)31-27(36)30-23-14-12-21(13-15-23)18-25(33)32-28(29-17-16-26(34)35)37-20(2)22-9-4-3-5-10-22/h3-15H,2,16-18H2,1H3,(H,34,35)(H,29,32,33)(H2,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Inc. Curated by ChEMBL					Assay Description Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction				J Med Chem 45: 2988-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0GDJ
					More data for this Ligand-Target Pair