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BDBM50251024 CHEMBL457486::N-(3,5-Difluoro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide

SMILES: Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F

InChI Key: InChIKey=WAUVOCPAFUJJNQ-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50251024   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50251024
PNG
(CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)
Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F
Show InChI InChI=1S/C12H8F2N2O5S/c13-10-5-7(6-11(14)12(10)17)15-22(20,21)9-3-1-8(2-4-9)16(18)19/h1-6,15,17H
PDB
MMDB

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B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.44E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lenses


Bioorg Med Chem 16: 3926-32 (2008)


Article DOI: 10.1016/j.bmc.2008.01.042
BindingDB Entry DOI: 10.7270/Q2JQ10SH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50251024
PNG
(CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)
Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F
Show InChI InChI=1S/C12H8F2N2O5S/c13-10-5-7(6-11(14)12(10)17)15-22(20,21)9-3-1-8(2-4-9)16(18)19/h1-6,15,17H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.44E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Rattus norvegicus)
BDBM50251024
PNG
(CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)
Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F
Show InChI InChI=1S/C12H8F2N2O5S/c13-10-5-7(6-11(14)12(10)17)15-22(20,21)9-3-1-8(2-4-9)16(18)19/h1-6,15,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair