new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kynurenine 3-monooxygenase' and Ligand = 'BDBM50088520'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of KMO (unknown origin)


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay 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...


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay 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


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay 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...


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair