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BDBM2276 2-Pyridinone derivative 57::3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-6-methyl-5-propyl-1,2-dihydropyridin-2-one::3-[2-(4,7-dichlorobemzoxazol-2-yl)ethyl]-5-m-propyl-6-methylpyridin-2(1H)-one::CHEMBL176957

SMILES: CCCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C

InChI Key: InChIKey=UUNRTTUYSMGSQR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2276   
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)
BDBM2276
PNG
(2-Pyridinone derivative 57 | 3-[2-(4,7-dichloro-1,...)
Show SMILES CCCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H18Cl2N2O2/c1-3-4-11-9-12(18(23)21-10(11)2)5-8-15-22-16-13(19)6-7-14(20)17(16)24-15/h6-7,9H,3-5,8H2,1-2H3,(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

PubMed
n/an/a 34n/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)
BDBM2276
PNG
(2-Pyridinone derivative 57 | 3-[2-(4,7-dichloro-1,...)
Show SMILES CCCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C18H18Cl2N2O2/c1-3-4-11-9-12(18(23)21-10(11)2)5-8-15-22-16-13(19)6-7-14(20)17(16)24-15/h6-7,9H,3-5,8H2,1-2H3,(H,21,23)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 34n/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