Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM267395'   

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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267395 (3-((4-(1,1-difluoroethyl)-1-((5-(4-fluorophenyl)-6...) Show SMILES CC(F)(F)c1ncn(Cc2cc(-c3ccc(F)cc3)c(=O)[nH]n2)c(=O)c1Oc1cccc(C#N)c1F Show InChI InChI=1S/C24H15F4N5O3/c1-24(27,28)21-20(36-18-4-2-3-14(10-29)19(18)26)23(35)33(12-30-21)11-16-9-17(22(34)32-31-16)13-5-7-15(25)8-6-13/h2-9,12H,11H2,1H3,(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US10189831 (2019) BindingDB Entry DOI: 10.7270/Q2QF8VZJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267395 (3-((4-(1,1-difluoroethyl)-1-((5-(4-fluorophenyl)-6...) Show SMILES CC(F)(F)c1ncn(Cc2cc(-c3ccc(F)cc3)c(=O)[nH]n2)c(=O)c1Oc1cccc(C#N)c1F Show InChI InChI=1S/C24H15F4N5O3/c1-24(27,28)21-20(36-18-4-2-3-14(10-29)19(18)26)23(35)33(12-30-21)11-16-9-17(22(34)32-31-16)13-5-7-15(25)8-6-13/h2-9,12H,11H2,1H3,(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair