Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-1' and Ligand = 'BDBM50519000'   

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-5/beta-1 (Homo sapiens (Human))	BDBM50519000 (CHEMBL4572721) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2ccc(cc2)-c2cccc3c(C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C30H35N9O7/c31-26(43)21-11-17-13-35-25-18(3-1-4-19(17)25)15-6-8-16(9-7-15)27(44)38-20(5-2-10-34-30(32)33)28(45)36-14-23(40)37-22(12-24(41)42)29(46)39-21/h1,3-4,6-9,13,20-22,35H,2,5,10-12,14H2,(H2,31,43)(H,36,45)(H,37,40)(H,38,44)(H,39,46)(H,41,42)(H4,32,33,34)/t20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human fibronectin binding to human integrin alpha5beta1 incubated for 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
					More data for this Ligand-Target Pair