Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50282100'   

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] (Human immunodeficiency virus type 1)	BDBM50282100 ((R)-2-Benzyl-5-[(tert-butylcarbamoyl-methyl)-cyclo...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)CC(O)(CO)CN(CC1CCCCC1)CC(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H60N6O5/c1-6-28(2)36(38(50)41-23-34-42-32-19-13-14-20-33(32)43-34)44-37(49)31(21-29-15-9-7-10-16-29)22-40(51,27-47)26-46(24-30-17-11-8-12-18-30)25-35(48)45-39(3,4)5/h7,9-10,13-16,19-20,28,30-31,36,47,51H,6,8,11-12,17-18,21-27H2,1-5H3,(H,41,50)(H,42,43)(H,44,49)(H,45,48)/t28-,31+,36-,40?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair