Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1 [T112H]' and Ligand = 'BDBM16900'   

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))	BDBM16900 ((3S)-3-{[(2S,3S)-1-[(2S)-2-carbamoylpyrrolidin-1-y...) Show SMILES CCCCC(=O)NC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C39H54N8O9/c1-5-7-14-31(48)41-22-29(43-32(49)20-25-15-17-26(18-16-25)42-39(56)45-27-12-9-8-11-24(27)4)37(54)44-28(21-33(50)51)36(53)46-34(23(3)6-2)38(55)47-19-10-13-30(47)35(40)52/h8-9,11-12,15-18,23,28-30,34H,5-7,10,13-14,19-22H2,1-4H3,(H2,40,52)(H,41,48)(H,43,49)(H,44,54)(H,46,53)(H,50,51)(H2,42,45,56)/t23?,28-,29-,30-,34-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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