BDBM22643 N-Me-pyrimidone deriv., 42::N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methanesulfonyl-1-methylpiperazin-2-yl)-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
SMILES: CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(C)(=O)=O
InChI Key: InChIKey=MWPWGZXQCAMTQA-UHFFFAOYSA-N
Data: 2 IC50
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 |
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Integrase (Human immunodeficiency virus 1) | BDBM22643 (N-Me-pyrimidone deriv., 42 | N-[(4-fluorophenyl)me...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | 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...) | BDBM22643 (N-Me-pyrimidone deriv., 42 | N-[(4-fluorophenyl)me...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | 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 |