Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50288347'   

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))	BDBM50288347 (CHEMBL4160986) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C |r| Show InChI InChI=1S/C39H46N4O6S/c1-23(2)32(42-35(45)31-20-27-17-10-11-18-30(27)49-31)36(46)41-29(19-26-15-8-7-9-16-26)33(44)38(48)43-22-50-39(5,6)34(43)37(47)40-21-28-24(3)13-12-14-25(28)4/h7-18,20,23,29,32-34,44H,19,21-22H2,1-6H3,(H,40,47)(H,41,46)(H,42,45)/t29-,32-,33-,34+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic...				J Med Chem 61: 5138-5153 (2018) Article DOI: 10.1021/acs.jmedchem.7b01709 BindingDB Entry DOI: 10.7270/Q2T15651
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