BDBM22645 2-[4-(dimethylsulfamoyl)-1-methylpiperazin-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide::N-Me-pyrimidone deriv., 44

SMILES: CN(C)S(=O)(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C

InChI Key: InChIKey=VLXQXSPUFLVMKN-UHFFFAOYSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22645   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM22645 (2-[4-(dimethylsulfamoyl)-1-methylpiperazin-2-yl]-N...) Show SMILES CN(C)S(=O)(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H27FN6O5S/c1-24(2)33(31,32)27-10-9-25(3)15(12-27)18-23-16(17(28)20(30)26(18)4)19(29)22-11-13-5-7-14(21)8-6-13/h5-8,15,28H,9-12H2,1-4H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22645 (2-[4-(dimethylsulfamoyl)-1-methylpiperazin-2-yl]-N...) Show SMILES CN(C)S(=O)(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H27FN6O5S/c1-24(2)33(31,32)27-10-9-25(3)15(12-27)18-23-16(17(28)20(30)26(18)4)19(29)22-11-13-5-7-14(21)8-6-13/h5-8,15,28H,9-12H2,1-4H3,(H,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					More data for this Ligand-Target Pair