Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50450678'   

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))	BDBM50450678 (CHEMBL73899) Show SMILES OC(=O)CCN1CCS[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O Show InChI InChI=1S/C18H22N2O7S/c21-12-3-1-11(2-4-12)9-13-18(27)20(6-5-15(22)23)7-8-28-14(10-16(24)25)17(26)19-13/h1-4,13-14,21H,5-10H2,(H,19,26)(H,22,23)(H,24,25)/t13-,14-/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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction				Bioorg Med Chem Lett 8: 2297-302 (1999) BindingDB Entry DOI: 10.7270/Q279466K
					More data for this Ligand-Target Pair