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BDBM1806 2-Amino-6-arylthiobenzonitrile deriv. 3z::2-amino-6-{[3-methoxy-5-(trifluoromethyl)benzene]sulfonyl}benzonitrile

SMILES: COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F

InChI Key: InChIKey=POZPQWWKQDWCKE-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1806   
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)
BDBM1806
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...)
Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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)
BDBM1806
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...)
Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/an/an/an/an/an/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