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BDBM1308 2-pyridinone deriv. 26::3-Aminopyridin-2(1H)-one analogue 28::5-ethyl-6-methyl-3-[(pyridin-3-ylmethyl)amino]-1,2-dihydropyridin-2-one::CHEMBL85975

SMILES: CCc1cc(NCc2cccnc2)c(=O)[nH]c1C

InChI Key: InChIKey=PNCQHPWMBIIGAP-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 1308   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1308
PNG
(2-pyridinone deriv. 26 | 3-Aminopyridin-2(1H)-one ...)
Show SMILES CCc1cc(NCc2cccnc2)c(=O)[nH]c1C
Show InChI InChI=1S/C14H17N3O/c1-3-12-7-13(14(18)17-10(12)2)16-9-11-5-4-6-15-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,18)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+5n/an/an/an/a8.2n/a



Merck Research Laboratories



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 35: 3792-802 (1992)


Article DOI: 10.1021/jm00099a007
BindingDB Entry DOI: 10.7270/Q2GH9G3P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1308
PNG
(2-pyridinone deriv. 26 | 3-Aminopyridin-2(1H)-one ...)
Show SMILES CCc1cc(NCc2cccnc2)c(=O)[nH]c1C
Show InChI InChI=1S/C14H17N3O/c1-3-12-7-13(14(18)17-10(12)2)16-9-11-5-4-6-15-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.02E+5n/an/an/an/an/an/a



Organon Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)


J Med Chem 39: 4065-72 (1996)


Article DOI: 10.1021/jm960058h
BindingDB Entry DOI: 10.7270/Q2Z039F0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1308
PNG
(2-pyridinone deriv. 26 | 3-Aminopyridin-2(1H)-one ...)
Show SMILES CCc1cc(NCc2cccnc2)c(=O)[nH]c1C
Show InChI InChI=1S/C14H17N3O/c1-3-12-7-13(14(18)17-10(12)2)16-9-11-5-4-6-15-8-11/h4-8,16H,3,9H2,1-2H3,(H,17,18)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+5n/an/an/an/a8.2n/a



Merck Research Laboratories



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: 249-55 (1993)


Article DOI: 10.1021/jm00054a009
BindingDB Entry DOI: 10.7270/Q20863HM
More data for this
Ligand-Target Pair