BDBM50115184 (2-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}-thiazol-4-yl)-acetic acid::CHEMBL100277

SMILES: Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2nc(CC(O)=O)cs2)cc1

InChI Key: InChIKey=DPCXVOPNKMKKHC-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 = 50115184   

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))	BDBM50115184 ((2-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}-t...) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2nc(CC(O)=O)cs2)cc1 Show InChI InChI=1S/C21H20N4O4S/c1-13-4-2-3-5-17(13)24-20(29)22-15-8-6-14(7-9-15)10-18(26)25-21-23-16(12-30-21)11-19(27)28/h2-9,12H,10-11H2,1H3,(H,27,28)(H2,22,24,29)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+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