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BDBM1732 2-Amino-6-arylthiobenzonitrile deriv. 1b::2-amino-6-[(2-methoxyphenyl)sulfanyl]benzonitrile

SMILES: COc1ccccc1Sc1cccc(N)c1C#N

InChI Key: InChIKey=NZXQIIPHDSINPY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1732   
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)
BDBM1732
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1b | 2-amino...)
Show SMILES COc1ccccc1Sc1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2OS/c1-17-12-6-2-3-7-14(12)18-13-8-4-5-11(16)10(13)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+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)

More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1732
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 1b | 2-amino...)
Show SMILES COc1ccccc1Sc1cccc(N)c1C#N
Show InChI InChI=1S/C14H12N2OS/c1-17-12-6-2-3-7-14(12)18-13-8-4-5-11(16)10(13)9-15/h2-8H,16H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.70E+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.


Citation and Details
More data for this
Ligand-Target Pair