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BDBM1753 2-Amino-6-arylthiobenzonitrile deriv. 1w::2-amino-6-[(3-methoxy-5-methylphenyl)sulfanyl]benzonitrile

SMILES: COc1cc(C)cc(Sc2cccc(N)c2C#N)c1

InChI Key: InChIKey=RIZVXTYEBQZFCK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1753   
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)
BDBM1753
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...)
Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1
Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 141n/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)
BDBM1753
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...)
Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1
Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 140n/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