Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50282668'   

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)	BDBM50282668 ((S)-N*1*-[(1S,2R)-1-Benzyl-3-(3-tert-butylcarbamoy...) Show SMILES CC(C)(C)NC(=O)c1cc2ccccc2cc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C39H41N5O5/c1-39(2,3)44-36(47)29-21-27-15-8-7-14-26(27)20-28(29)22-34(45)32(19-24-11-5-4-6-12-24)42-38(49)33(23-35(40)46)43-37(48)31-18-17-25-13-9-10-16-30(25)41-31/h4-18,20-21,32-34,45H,19,22-23H2,1-3H3,(H2,40,46)(H,42,49)(H,43,48)(H,44,47)/t32-,33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro inhibition of HIV-1 protease				Bioorg Med Chem Lett 4: 1385-1390 (1994) Article DOI: 10.1016/S0960-894X(01)80367-X BindingDB Entry DOI: 10.7270/Q2QJ7H7N
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