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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kynurenine 3-monooxygenase' and Ligand = 'BDBM50072251'   
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


(Rattus norvegicus)
BDBM50072251
PNG
(2-Chloro-4-(3,4-dichloro-phenyl)-4-oxo-butyric aci...)
Show SMILES OC(=O)C(Cl)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H7Cl3O3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4H2,(H,15,16)
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PC cid
PC sid
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)


BindingDB Entry DOI: 10.7270/Q23X874K
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072251
PNG
(2-Chloro-4-(3,4-dichloro-phenyl)-4-oxo-butyric aci...)
Show SMILES OC(=O)C(Cl)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H7Cl3O3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.48E+4n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat liver KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)


BindingDB Entry DOI: 10.7270/Q23X874K
More data for this
Ligand-Target Pair