Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50005383'   

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)	BDBM50005383 (CHEMBL319192) Show SMILES [H][C@](O)(CCC(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C26H34N2O5/c1-26(2,3)33-25(32)27-20(15-17-9-5-4-6-10-17)21(29)13-14-23(31)28-24-19-12-8-7-11-18(19)16-22(24)30/h4-12,20-22,24,29-30H,13-16H2,1-3H3,(H,27,32)(H,28,31)/t20-,21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease.				J Med Chem 43: 3020-32 (2000) BindingDB Entry DOI: 10.7270/Q2HM59P2
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