BDBM50231424 (S)-3-(4-(4-(2,6-dicyanophenyl)piperazin-1-yl)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid::CHEMBL402516

SMILES: OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1c(cccc1C#N)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=LTYMJLTXGNXFIQ-VMPREFPWSA-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 = 50231424   

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))	BDBM50231424 ((S)-3-(4-(4-(2,6-dicyanophenyl)piperazin-1-yl)phen...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1c(cccc1C#N)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H32N6O5S/c33-21-24-6-4-7-25(22-34)30(24)37-18-16-36(17-19-37)26-13-11-23(12-14-26)20-28(32(40)41)35-31(39)29-10-5-15-38(29)44(42,43)27-8-2-1-3-9-27/h1-4,6-9,11-14,28-29H,5,10,15-20H2,(H,35,39)(H,40,41)/t28-,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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