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PubMed code 26396678

Compile data set for download or QSAR
Found 5 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


(Homo sapiens)
BDBM50131813
PNG
(CHEMBL3634599)
Show SMILES CC(Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1
Show InChI InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kynurenine monooxygenase (unknown origin) by MS rapidfire assay


ACS Med Chem Lett 6: 954-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00274
BindingDB Entry DOI: 10.7270/Q2P55QBM
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50131814
PNG
(CHEMBL3634598)
Show SMILES Cc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
Show InChI InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
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PubMed
n/an/a 13n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kynurenine monooxygenase (unknown origin) by MS rapidfire assay


ACS Med Chem Lett 6: 954-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00274
BindingDB Entry DOI: 10.7270/Q2P55QBM
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50131812
PNG
(CHEMBL3634600)
Show SMILES OC(=O)CCn1c2cc(Cl)c(OCC3CCC3)cc2oc1=O
Show InChI InChI=1S/C15H16ClNO5/c16-10-6-11-13(7-12(10)21-8-9-2-1-3-9)22-15(20)17(11)5-4-14(18)19/h6-7,9H,1-5,8H2,(H,18,19)
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PubMed
n/an/a>794n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kynurenine monooxygenase (unknown origin) by MS rapidfire assay


ACS Med Chem Lett 6: 954-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00274
BindingDB Entry DOI: 10.7270/Q2P55QBM
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50131811
PNG
(CHEMBL3634601)
Show SMILES Cn1ccnc1COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
Show InChI InChI=1S/C15H14ClN3O5/c1-18-5-3-17-13(18)8-23-11-7-12-10(6-9(11)16)19(15(22)24-12)4-2-14(20)21/h3,5-7H,2,4,8H2,1H3,(H,20,21)
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PubMed
n/an/a>794n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kynurenine monooxygenase (unknown origin) by MS rapidfire assay


ACS Med Chem Lett 6: 954-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00274
BindingDB Entry DOI: 10.7270/Q2P55QBM
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens)
BDBM50131810
PNG
(CHEMBL3634602)
Show SMILES C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1cccnn1
Show InChI InChI=1S/C16H14ClN3O5/c1-9(11-3-2-5-18-19-11)24-13-8-14-12(7-10(13)17)20(16(23)25-14)6-4-15(21)22/h2-3,5,7-9H,4,6H2,1H3,(H,21,22)/t9-/m1/s1
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Article
PubMed
n/an/a>794n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kynurenine monooxygenase (unknown origin) by MS rapidfire assay


ACS Med Chem Lett 6: 954-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00274
BindingDB Entry DOI: 10.7270/Q2P55QBM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%