Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50231422'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-4 (Homo sapiens (Human))	BDBM50231422 ((S)-2-((R)-1-(3,5-dichlorophenylsulfonyl)pyrrolidi...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H32Cl2N4O5S/c31-22-18-23(32)20-26(19-22)42(40,41)36-12-4-7-28(36)29(37)33-27(30(38)39)17-21-8-10-25(11-9-21)35-15-13-34(14-16-35)24-5-2-1-3-6-24/h1-3,5-6,8-11,18-20,27-28H,4,7,12-17H2,(H,33,37)(H,38,39)/t27-,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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
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