Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM461193'   

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)	BDBM461193 (US10774053, Compound 240 | US11352329, COMPD # 240) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N2CC(F)(F)C2)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C32H32ClF4N9O3/c1-30(2,3)14-32(22-7-4-19(5-8-22)21-11-40-44(12-21)27(34)35)26(47)46(28(38)42-32)25(13-49-29(48)43-15-31(36,37)16-43)20-6-9-23(33)24(10-20)45-18-39-17-41-45/h4-12,17-18,25,27H,13-16H2,1-3H3,(H2,38,42)/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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