BDBM50231429 (S)-3-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid::CHEMBL254334

SMILES: OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)C(=O)C1CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=XUKMLGOSDAVWPM-DQEYMECFSA-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 = 50231429   

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 alpha-4 (Homo sapiens (Human))	BDBM50231429 ((S)-3-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)p...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)C(=O)C1CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O6S/c33-26(25-7-4-14-32(25)39(37,38)23-5-2-1-3-6-23)29-24(28(35)36)19-20-8-12-22(13-9-20)30-15-17-31(18-16-30)27(34)21-10-11-21/h1-3,5-6,8-9,12-13,21,24-25H,4,7,10-11,14-19H2,(H,29,33)(H,35,36)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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