BDBM50061916 3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide::CHEMBL134915

SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=NDPBMCKQJOZAQX-UHFFFAOYSA-N

Data  1 KI  10 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50061916   

TargetKynurenine 3-monooxygenase(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataKi:  4.80nMAssay Description:Inhibitory constant of the compound against Kynurenine 3-hydroxylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Mus musculus)
Chdi Management/Chdi Foundation

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  90nMAssay Description:Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  22nMAssay Description:Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Homo sapiens (Human))
Chdi Management/Chdi Foundation

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  170nMAssay Description:Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Homo sapiens (Human))
Chdi Management/Chdi Foundation

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  37nMAssay Description:Inhibition of Phosphodiesterase 2 from pig coronary arteryMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetKynurenine 3-monooxygenase(Mus musculus)
Chdi Management/Chdi Foundation

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Homo sapiens (Human))
Chdi Management/Chdi Foundation

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  37nMAssay Description:Inhibition of human KMOMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Homo sapiens (Human))
Chdi Management/Chdi Foundation

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  37nMAssay Description:Inhibition of KMO (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50:  37nMAssay Description:Inhibition of rat kidney Kynurenine 3-hydroxylase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKynurenine 3-monooxygenase(Homo sapiens (Human))
Chdi Management/Chdi Foundation

Curated by ChEMBL
LigandPNGBDBM50061916(3,4-Dimethoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed