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BDBM22641 2-{4-[2-(dimethylamino)acetyl]-1-methylpiperazin-2-yl}-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide::N-Me-pyrimidone deriv., 40

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

InChI Key: InChIKey=LXKVCALFXHTWPA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22641   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM22641
PNG
(2-{4-[2-(dimethylamino)acetyl]-1-methylpiperazin-2...)
Show SMILES CN(C)CC(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C22H29FN6O4/c1-26(2)13-17(30)29-10-9-27(3)16(12-29)20-25-18(19(31)22(33)28(20)4)21(32)24-11-14-5-7-15(23)8-6-14/h5-8,16,31H,9-13H2,1-4H3,(H,24,32)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/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