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BDBM1737 2-Amino-6-arylthiobenzonitrile deriv. 1g::2-amino-6-[(4-methylphenyl)sulfanyl]benzonitrile

SMILES: Cc1ccc(Sc2cccc(N)c2C#N)cc1

InChI Key: InChIKey=NLGYCJNCIXKPHK-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1737   
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)
BDBM1737
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1g | 2-amino...)
Show SMILES Cc1ccc(Sc2cccc(N)c2C#N)cc1
Show InChI InChI=1S/C14H12N2S/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(16)12(14)9-15/h2-8H,16H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.75E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Reverse transcriptase


J Med Chem 48: 3756-67 (2005)


Article DOI: 10.1021/jm049162m
BindingDB Entry DOI: 10.7270/Q2XS5WQ0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1737
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1g | 2-amino...)
Show SMILES Cc1ccc(Sc2cccc(N)c2C#N)cc1
Show InChI InChI=1S/C14H12N2S/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(16)12(14)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5.70E+3n/an/an/an/a8.0n/a



GlaxoSmithKline



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 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair