BDBM17157 3-[4-({3-[3-methoxy-4-({[2-(propan-2-yl)phenyl]carbamoyl}amino)phenyl]-2-oxo-1,2-dihydropyridin-1-yl}methyl)phenyl]propanoic acid::Pyridone derivative, 3

SMILES: COc1cc(ccc1NC(=O)Nc1ccccc1C(C)C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O

InChI Key: InChIKey=CFTAOGKUPPQDSX-UHFFFAOYSA-N

Data: 1 KI

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 = 17157   

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 alpha4beta1 (VLA-4) (Homo sapiens (Human))	BDBM17157 (3-[4-({3-[3-methoxy-4-({[2-(propan-2-yl)phenyl]car...) Show SMILES COc1cc(ccc1NC(=O)Nc1ccccc1C(C)C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O Show InChI InChI=1S/C32H33N3O5/c1-21(2)25-7-4-5-9-27(25)33-32(39)34-28-16-15-24(19-29(28)40-3)26-8-6-18-35(31(26)38)20-23-12-10-22(11-13-23)14-17-30(36)37/h4-13,15-16,18-19,21H,14,17,20H2,1-3H3,(H,36,37)(H2,33,34,39)	PDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	316	-8.77	n/a	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description J6 cells (1 million cells/well) were allowed to coat wheat germ agglutinin coated SPA beads (Amersham, 1 mg/well) in assay buffer. Tritiated 3H Stand...				Bioorg Med Chem Lett 16: 5538-41 (2006) Article DOI: 10.1016/j.bmcl.2006.08.044 BindingDB Entry DOI: 10.7270/Q24Q7S8V
					More data for this Ligand-Target Pair