Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM460896'   

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 (HIV-1)	BDBM460896 (US10774053, Compound 10 | US11352329, COMPD # 10) Show SMILES COc1ccc(c(F)c1)[C@@]1(CC(C)(C)C)NC(=N)N([C@H](COC(=O)N(C)C)c2ccc(Cl)c(c2)-c2ncccc2F)C1=O |r| Show InChI InChI=1S/C31H34ClF2N5O4/c1-30(2,3)17-31(21-11-10-19(42-6)15-24(21)34)27(40)39(28(35)37-31)25(16-43-29(41)38(4)5)18-9-12-22(32)20(14-18)26-23(33)8-7-13-36-26/h7-15,25H,16-17H2,1-6H3,(H2,35,37)/t25-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
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