BindingDB logo
myBDB logout

PubMed code 9873646

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
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)
BDBM50072257
PNG
(2-Benzyl-4-(3,4-dichloro-phenyl)-4-oxo-butyric aci...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C17H14Cl2O3/c18-14-7-6-12(9-15(14)19)16(20)10-13(17(21)22)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 180n/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


(Homo sapiens (Human))
BDBM50072257
PNG
(2-Benzyl-4-(3,4-dichloro-phenyl)-4-oxo-butyric aci...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C17H14Cl2O3/c18-14-7-6-12(9-15(14)19)16(20)10-13(17(21)22)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of human recombinant 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


(Homo sapiens (Human))
BDBM50061915
PNG
(2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acid...)
Show SMILES NC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9Cl2NO3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4,13H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of human recombinant 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)
BDBM50061915
PNG
(2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acid...)
Show SMILES NC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9Cl2NO3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4,13H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 200n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072242
PNG
(4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-butyric ac...)
Show SMILES OC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H8Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for 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)
BDBM50061915
PNG
(2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acid...)
Show SMILES NC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9Cl2NO3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4,13H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 330n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for the 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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072248
PNG
((S)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-butyri...)
Show SMILES O[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H8Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)/t9-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 420n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072244
PNG
((Z)-4-(3,4-Difluoro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C10H6F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 440n/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)
BDBM50072249
PNG
(4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-butyric acid |...)
Show SMILES OC(CC(=O)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9ClO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 480n/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)
BDBM50072254
PNG
((E)-4-(3,4-Dichloro-phenyl)-4-oxo-but-2-enoic acid...)
Show SMILES OC(=O)\C=C\C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 900n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for 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)
BDBM50072245
PNG
(4-(3,4-Dichloro-phenyl)-4-oxo-butyric acid | CHEMB...)
Show SMILES OC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H8Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 900n/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)
BDBM50072260
PNG
((Z)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 950n/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)
BDBM50072255
PNG
((E)-4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid...)
Show SMILES OC(=O)\C=C\C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C10H6F2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+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)
BDBM50072249
PNG
(4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-butyric acid |...)
Show SMILES OC(CC(=O)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H9ClO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072250
PNG
(4-(3,4-Dichloro-phenyl)-2-methoxy-4-oxo-butyric ac...)
Show SMILES COC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H10Cl2O4/c1-17-10(11(15)16)5-9(14)6-2-3-7(12)8(13)4-6/h2-4,10H,5H2,1H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.20E+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)
BDBM50072244
PNG
((Z)-4-(3,4-Difluoro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C10H6F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072242
PNG
(4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-butyric ac...)
Show SMILES OC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H8Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for 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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072252
PNG
(4-(3,4-Difluoro-phenyl)-2-hydroxy-4-oxo-butyric ac...)
Show SMILES OC(CC(=O)c1ccc(F)c(F)c1)C(O)=O
Show InChI InChI=1S/C10H8F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.45E+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)
BDBM50072258
PNG
(2-Hydroxy-4-(3-nitro-phenyl)-4-oxo-butyric acid | ...)
Show SMILES OC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H9NO6/c12-8(5-9(13)10(14)15)6-2-1-3-7(4-6)11(16)17/h1-4,9,13H,5H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.95E+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)
BDBM50072253
PNG
(4-(3,4-Dichloro-phenyl)-2-methylene-4-oxo-butyric ...)
Show SMILES CC(=CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O |w:2.2|
Show InChI InChI=1S/C11H8Cl2O3/c1-6(11(15)16)4-10(14)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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 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)
BDBM50072259
PNG
((S)-2-Benzyl-4-(3,4-dichloro-phenyl)-4-oxo-butyric...)
Show SMILES OC(=O)[C@H](CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C17H14Cl2O3/c18-14-7-6-12(9-15(14)19)16(20)10-13(17(21)22)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,21,22)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.30E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072257
PNG
(2-Benzyl-4-(3,4-dichloro-phenyl)-4-oxo-butyric aci...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C17H14Cl2O3/c18-14-7-6-12(9-15(14)19)16(20)10-13(17(21)22)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.90E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072252
PNG
(4-(3,4-Difluoro-phenyl)-2-hydroxy-4-oxo-butyric ac...)
Show SMILES OC(CC(=O)c1ccc(F)c(F)c1)C(O)=O
Show InChI InChI=1S/C10H8F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.00E+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


(Homo sapiens (Human))
BDBM50072242
PNG
(4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-butyric ac...)
Show SMILES OC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H8Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of human recombinant 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)
BDBM50072247
PNG
(4-(3,4-Dichloro-phenyl)-2-methyl-4-oxo-butyric aci...)
Show SMILES CC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H10Cl2O3/c1-6(11(15)16)4-10(14)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.50E+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)
BDBM50072245
PNG
(4-(3,4-Dichloro-phenyl)-4-oxo-butyric acid | CHEMB...)
Show SMILES OC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H8Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.90E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072246
PNG
(4-(3-Fluoro-phenyl)-2-hydroxy-4-oxo-butyric acid |...)
Show SMILES OC(CC(=O)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C10H9FO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.60E+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)
BDBM50072260
PNG
((Z)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.40E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072250
PNG
(4-(3,4-Dichloro-phenyl)-2-methoxy-4-oxo-butyric ac...)
Show SMILES COC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H10Cl2O4/c1-17-10(11(15)16)5-9(14)6-2-3-7(12)8(13)4-6/h2-4,10H,5H2,1H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6.90E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072247
PNG
(4-(3,4-Dichloro-phenyl)-2-methyl-4-oxo-butyric aci...)
Show SMILES CC(CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H10Cl2O3/c1-6(11(15)16)4-10(14)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6.90E+3n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072246
PNG
(4-(3-Fluoro-phenyl)-2-hydroxy-4-oxo-butyric acid |...)
Show SMILES OC(CC(=O)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C10H9FO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 9.10E+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)
BDBM50072254
PNG
((E)-4-(3,4-Dichloro-phenyl)-4-oxo-but-2-enoic acid...)
Show SMILES OC(=O)\C=C\C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.04E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072262
PNG
((R)-2-Benzyl-4-(3,4-dichloro-phenyl)-4-oxo-butyric...)
Show SMILES OC(=O)[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C17H14Cl2O3/c18-14-7-6-12(9-15(14)19)16(20)10-13(17(21)22)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,21,22)/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.07E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072253
PNG
(4-(3,4-Dichloro-phenyl)-2-methylene-4-oxo-butyric ...)
Show SMILES CC(=CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O |w:2.2|
Show InChI InChI=1S/C11H8Cl2O3/c1-6(11(15)16)4-10(14)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.13E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072258
PNG
(2-Hydroxy-4-(3-nitro-phenyl)-4-oxo-butyric acid | ...)
Show SMILES OC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H9NO6/c12-8(5-9(13)10(14)15)6-2-1-3-7(4-6)11(16)17/h1-4,9,13H,5H2,(H,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.15E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072261
PNG
((R)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-butyri...)
Show SMILES O[C@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C10H8Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)/t9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.44E+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
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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072243
PNG
(4-(3,4-Dichloro-phenyl)-4-oxo-2-phenyl-butyric aci...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C16H12Cl2O3/c17-13-7-6-11(8-14(13)18)15(19)9-12(16(20)21)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.95E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072255
PNG
((E)-4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid...)
Show SMILES OC(=O)\C=C\C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C10H6F2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-5H,(H,14,15)/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.11E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072253
PNG
(4-(3,4-Dichloro-phenyl)-2-methylene-4-oxo-butyric ...)
Show SMILES CC(=CC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O |w:2.2|
Show InChI InChI=1S/C11H8Cl2O3/c1-6(11(15)16)4-10(14)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.60E+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
* indicates data uncertainty>20%