Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-1' and Ligand = 'BDBM50538006'   

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-V/beta-1 (Homo sapiens (Human))	BDBM50538006 (CHEMBL4649232) Show SMILES CCNC(=O)Nc1cnnc(c1)-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C23H21Cl2N5O4/c1-2-26-23(34)28-15-11-18(30-27-12-15)14-8-6-13(7-9-14)10-19(22(32)33)29-21(31)20-16(24)4-3-5-17(20)25/h3-9,11-12,19H,2,10H2,1H3,(H,29,31)(H,32,33)(H2,26,28,30,34)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pliant Therapeutics Curated by ChEMBL					Assay Description Displacement of [3H] C8 from human integrin alphavbeta1 incubated for 6 hrs by competition binding assay				J Med Chem 63: 5675-5696 (2020) Article DOI: 10.1021/acs.jmedchem.9b01869 BindingDB Entry DOI: 10.7270/Q2DR302Z
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