BindingDB logo
myBDB logout

BDBM1284 3-Aminopyridin-2(1H)-one analogue 4::3-[(1-benzofuran-2-ylmethyl)amino]-5-ethyl-6-methyl-1,2-dihydropyridin-2-one::CHEMBL316785::Pyridinone deriv. 8

SMILES: CCc1cc(NCc2cc3ccccc3o2)c(=O)[nH]c1C

InChI Key: InChIKey=QTDHSVQLRCNIKE-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 1284   
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)
BDBM1284
PNG
(3-Aminopyridin-2(1H)-one analogue 4 | 3-[(1-benzof...)
Show SMILES CCc1cc(NCc2cc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H18N2O2/c1-3-12-9-15(17(20)19-11(12)2)18-10-14-8-13-6-4-5-7-16(13)21-14/h4-9,18H,3,10H2,1-2H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/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)
BDBM1284
PNG
(3-Aminopyridin-2(1H)-one analogue 4 | 3-[(1-benzof...)
Show SMILES CCc1cc(NCc2cc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H18N2O2/c1-3-12-9-15(17(20)19-11(12)2)18-10-14-8-13-6-4-5-7-16(13)21-14/h4-9,18H,3,10H2,1-2H3,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 331n/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)
BDBM1284
PNG
(3-Aminopyridin-2(1H)-one analogue 4 | 3-[(1-benzof...)
Show SMILES CCc1cc(NCc2cc3ccccc3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H18N2O2/c1-3-12-9-15(17(20)19-11(12)2)18-10-14-8-13-6-4-5-7-16(13)21-14/h4-9,18H,3,10H2,1-2H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 235n/an/an/an/a8.2n/a



Merck Sharp and Dohme 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 34: 2922-5 (1991)


Article DOI: 10.1021/jm00113a036
BindingDB Entry DOI: 10.7270/Q2WM1BK1
More data for this
Ligand-Target Pair