Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM460925'   

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)	BDBM460925 (US10774053, Compound 39 | US11352329, COMPD # 39) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-c2nncs2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C32H33ClF2N8O3S/c1-31(2,3)16-32(21-7-4-18(5-8-21)20-13-38-42(14-20)28(34)35)27(44)43(29(36)40-32)25(15-46-30(45)39-22-9-10-22)19-6-11-24(33)23(12-19)26-41-37-17-47-26/h4-8,11-14,17,22,25,28H,9-10,15-16H2,1-3H3,(H2,36,40)(H,39,45)/t25-,32-/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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