Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50483112'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483112 (CHEMBL1276064) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(CO)cc1 |r| Show InChI InChI=1S/C31H35F2N3O7S/c1-20(2)16-35(44(41,42)24-11-8-22(19-37)9-12-24)17-28(38)26(14-21-6-4-3-5-7-21)34-30(39)29-18-36(31(40)43-29)27-13-10-23(32)15-25(27)33/h3-13,15,20,26,28-29,37-38H,14,16-19H2,1-2H3,(H,34,39)/t26-,28+,29-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease by FRET				J Med Chem 53: 7699-708 (2010) Article DOI: 10.1021/jm1008743 BindingDB Entry DOI: 10.7270/Q2BZ68WM
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