Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM1468'   

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)	BDBM1468 (4-({3-[cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H...) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C28H29NO7S/c30-26-22-8-3-1-2-4-9-23(22)36-28(33)25(26)24(17-10-11-17)19-6-5-7-20(16-19)29-37(34,35)21-14-12-18(13-15-21)27(31)32/h5-7,12-17,24,29-30H,1-4,8-11H2,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease.				Bioorg Med Chem Lett 7: 399-402 (1997) Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6
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