Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1 [T112H]' and Ligand = 'BDBM16895'   

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/beta-1 [T112H] (Homo sapiens (Human))	BDBM16895 ((3S)-3-{[(2S,3S)-1-[(2S)-2-carbamoylpyrrolidin-1-y...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CC1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C37H49N7O8/c1-4-21(2)32(36(51)44-17-7-10-29(44)33(38)48)43-35(50)28(20-31(46)47)41-34(49)27(18-23-11-12-23)40-30(45)19-24-13-15-25(16-14-24)39-37(52)42-26-9-6-5-8-22(26)3/h5-6,8-9,13-16,21,23,27-29,32H,4,7,10-12,17-20H2,1-3H3,(H2,38,48)(H,40,45)(H,41,49)(H,43,50)(H,46,47)(H2,39,42,52)/t21?,27-,28-,29-,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis					Assay Description Binding affinities (IC50) of the ligands were studied in a Jurkat cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS-1...				Biopolymers 84: 595-604 (2006) Article DOI: 10.1002/bip.20588 BindingDB Entry DOI: 10.7270/Q2PR7T74
					More data for this Ligand-Target Pair