Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587,G537V,H558K,V571A]' and Ligand = 'BDBM50462131'   

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
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM50462131 (CHEMBL2182010) Show SMILES [#8]-[#6@@H]-1-[#6]-c2ccccc2-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#6][Si;v4]([#8])([#8])[#6]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#8])-[#6]-c2ccccc-12 |r| Show InChI InChI=1S/C38H42N2O6Si/c41-33-21-27-15-7-9-17-31(27)35(33)39-37(43)29(19-25-11-3-1-4-12-25)23-47(45,46)24-30(20-26-13-5-2-6-14-26)38(44)40-36-32-18-10-8-16-28(32)22-34(36)42/h1-18,29-30,33-36,41-42,45-46H,19-24H2,(H,39,43)(H,40,44)/t29-,30-,33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-National Chemical Laboratory Curated by ChEMBL					Assay Description Inhibition of HIV protease				J Med Chem 61: 3779-3798 (2018) Article DOI: 10.1021/acs.jmedchem.7b00718 BindingDB Entry DOI: 10.7270/Q2GT5QTK
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