Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1 [T112H]' and Ligand = 'BDBM17203'   

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))	BDBM17203 (2,6-quinolinyl derivative, 25 | 3-[2-(2-chloro-6-n...) Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1[N+]([O-])=O)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H16Cl3N3O5/c26-15-3-1-4-16(27)22(15)24(32)30-20(25(33)34)12-13-7-9-18-14(11-13)8-10-19(29-18)23-17(28)5-2-6-21(23)31(35)36/h1-11,20H,12H2,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	7.4	22
UCB					Assay Description The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...				Bioorg Med Chem Lett 17: 142-6 (2007) Article DOI: 10.1016/j.bmcl.2006.09.069 BindingDB Entry DOI: 10.7270/Q2W957FD
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