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BDBM1780 1-nitro-2-[(2-nitrobenzene)sulfonyl]benzene::2-Amino-6-arylthiobenzonitrile deriv. 4b

SMILES: [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=IHZVFZOUXUNSPQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 1780   
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)
BDBM1780
PNG
(1-nitro-2-[(2-nitrobenzene)sulfonyl]benzene | 2-Am...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C12H8N2O6S/c15-13(16)9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)14(17)18/h1-8H
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.41E+4n/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)
BDBM1780
PNG
(1-nitro-2-[(2-nitrobenzene)sulfonyl]benzene | 2-Am...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C12H8N2O6S/c15-13(16)9-5-1-3-7-11(9)21(19,20)12-8-4-2-6-10(12)14(17)18/h1-8H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.40E+4n/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.


J Med Chem 44: 1866-82 (2001)


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