BDBM50231426 (S)-2-(2-fluoro-6-(trifluoromethyl)benzamido)-3-(4-(4-phenylpiperazin-1-yl)phenyl)propanoic acid::CHEMBL254944

SMILES: OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(F)cccc1C(F)(F)F

InChI Key: InChIKey=AWFDHZGNICLZNJ-QHCPKHFHSA-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 = 50231426   

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 alpha4 (Homo sapiens (Human))	BDBM50231426 ((S)-2-(2-fluoro-6-(trifluoromethyl)benzamido)-3-(4...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(F)cccc1C(F)(F)F Show InChI InChI=1S/C27H25F4N3O3/c28-22-8-4-7-21(27(29,30)31)24(22)25(35)32-23(26(36)37)17-18-9-11-20(12-10-18)34-15-13-33(14-16-34)19-5-2-1-3-6-19/h1-12,23H,13-17H2,(H,32,35)(H,36,37)/t23-/m0/s1	PDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA				Bioorg Med Chem Lett 18: 1053-7 (2008) Article DOI: 10.1016/j.bmcl.2007.12.014 BindingDB Entry DOI: 10.7270/Q29S1QR8
					More data for this Ligand-Target Pair