Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50423850'   

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 (Homo sapiens (Human))	BDBM50423850 (CHEMBL1940753) Show SMILES Cn1cc(-c2nc3ccc(CC(=O)N4C[C@@H](F)C[C@H]4CO[C@H]4CC[C@@H](CC4)C(O)=O)cc3o2)c2cc(Cl)ccc12 |r,wU:24.28,18.19,15.15,wD:21.21,(18.86,-9.45,;20.11,-8.55,;21.58,-9.03,;22.48,-7.79,;24.02,-7.79,;24.93,-9.04,;26.4,-8.57,;27.74,-9.34,;29.07,-8.57,;29.07,-7.02,;30.4,-6.24,;31.73,-7.01,;31.74,-8.55,;33.07,-6.23,;33.22,-4.7,;34.72,-4.38,;35.34,-2.97,;35.5,-5.71,;34.47,-6.86,;34.79,-8.36,;36.26,-8.84,;37.4,-7.81,;38.75,-8.57,;40.06,-7.78,;40.05,-6.24,;38.7,-5.49,;37.37,-6.28,;41.37,-5.45,;42.71,-6.21,;41.35,-3.91,;27.73,-6.25,;26.4,-7.02,;24.93,-6.54,;21.58,-6.53,;21.89,-5.04,;20.75,-4.01,;21.07,-2.5,;19.29,-4.49,;18.98,-5.99,;20.11,-7.01,)| Show InChI InChI=1S/C30H31ClFN3O5/c1-34-15-24(23-12-19(31)5-9-26(23)34)29-33-25-8-2-17(10-27(25)40-29)11-28(36)35-14-20(32)13-21(35)16-39-22-6-3-18(4-7-22)30(37)38/h2,5,8-10,12,15,18,20-22H,3-4,6-7,11,13-14,16H2,1H3,(H,37,38)/t18-,20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Displacement of Eu-labeled VCAM-1 from human VLA alpha4 beta1 expressed in CHO-K1 cells after 60 mins by time-resolved fluorometric analysis				Bioorg Med Chem 20: 1201-12 (2012) Article DOI: 10.1016/j.bmc.2011.12.045 BindingDB Entry DOI: 10.7270/Q2XG9SFK
					More data for this Ligand-Target Pair