Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50483107'   

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))	BDBM50483107 (CHEMBL1276084) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(CO)cc1 |r| Show InChI InChI=1S/C33H39N3O8S/c1-22(2)18-35(45(42,43)28-14-12-25(21-37)13-15-28)19-30(39)29(16-24-8-5-4-6-9-24)34-32(40)31-20-36(33(41)44-31)27-11-7-10-26(17-27)23(3)38/h4-15,17,22,29-31,37,39H,16,18-21H2,1-3H3,(H,34,40)/t29-,30+,31-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.236	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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