Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM460936'   

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)	BDBM460936 (US10774053, Compound 49 | US11352329, COMPD # 49) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N2CC(F)(F)C2)c2ccc(Cl)c(c2)-c2ccccn2)C1=O)c1ccc(cc1)-c1cnn(c1)C1CC1 |r| Show InChI InChI=1S/C37H38ClF2N7O3/c1-35(2,3)20-37(26-10-7-23(8-11-26)25-17-43-46(18-25)27-12-13-27)32(48)47(33(41)44-37)31(19-50-34(49)45-21-36(39,40)22-45)24-9-14-29(38)28(16-24)30-6-4-5-15-42-30/h4-11,14-18,27,31H,12-13,19-22H2,1-3H3,(H2,41,44)/t31-,37-/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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