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BDBM2267 2-Pyridinone derivative 47::3-[2-(1,3-benzoxazol-2-yl)ethyl]-6-methyl-5-propyl-1,2-dihydropyridin-2-one::3-[2-(Benmxazol-2-y1)ethyl]-5-n-propyl-6-methylpyridin-2(1H)-one::CHEMBL173589

SMILES: CCCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C

InChI Key: InChIKey=ZCUWVQRLBUSERV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2267   
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)
BDBM2267
PNG
(2-Pyridinone derivative 47 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CCCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-3-6-13-11-14(18(21)19-12(13)2)9-10-17-20-15-7-4-5-8-16(15)22-17/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,21)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 83n/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)
BDBM2267
PNG
(2-Pyridinone derivative 47 | 3-[2-(1,3-benzoxazol-...)
Show SMILES CCCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H20N2O2/c1-3-6-13-11-14(18(21)19-12(13)2)9-10-17-20-15-7-4-5-8-16(15)22-17/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 83n/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