Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50114286'   

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))	BDBM50114286 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-methy...) Show SMILES COc1nc(N[C@@H](Cc2ccc(cc2)N(C)C(=O)c2c(Cl)cncc2Cl)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C21H20Cl2N6O5/c1-29(17(30)16-13(22)9-24-10-14(16)23)12-6-4-11(5-7-12)8-15(18(31)32)25-19-26-20(33-2)28-21(27-19)34-3/h4-7,9-10,15H,8H2,1-3H3,(H,31,32)(H,25,26,27,28)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay.				Bioorg Med Chem Lett 12: 1591-4 (2002) BindingDB Entry DOI: 10.7270/Q23T9JHK
					More data for this Ligand-Target Pair