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BDBM2224 2-Pyridinone derivative 4::3-(2-Phenylethyl)-5-ethyl-6-methylpyridin-2(1H)-one::5-ethyl-6-methyl-3-(2-phenylethyl)-1,2-dihydropyridin-2-one::CHEMBL353328

SMILES: CCc1cc(CCc2ccccc2)c(=O)[nH]c1C

InChI Key: InChIKey=RWEXZYPUDQKVSX-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2224   
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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2224
PNG
(2-Pyridinone derivative 4 | 3-(2-Phenylethyl)-5-et...)
Show SMILES CCc1cc(CCc2ccccc2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H19NO/c1-3-14-11-15(16(18)17-12(14)2)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2224
PNG
(2-Pyridinone derivative 4 | 3-(2-Phenylethyl)-5-et...)
Show SMILES CCc1cc(CCc2ccccc2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H19NO/c1-3-14-11-15(16(18)17-12(14)2)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Reserch Laboratories

Curated by ChEMBL


Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 953-66 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8G28
More data for this
Ligand-Target Pair