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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50072083   
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))
BDBM50072083
PNG
(CHEMBL3407929)
Show SMILES OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



Evotec (U.K.) Ltd

Curated by ChEMBL


Assay Description
Inhibition of KMO (unknown origin)


J Med Chem 58: 1159-83 (2015)


Article DOI: 10.1021/jm501350y
BindingDB Entry DOI: 10.7270/Q2445P5N
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50072083
PNG
(CHEMBL3407929)
Show SMILES OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.0


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072083
PNG
(CHEMBL3407929)
Show SMILES OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat brain homogenates using kynurenine as substrate measured after 5 to 30 mins


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072083
PNG
(CHEMBL3407929)
Show SMILES OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
PDB

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CHEMBL
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PC cid
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat brain homogenates using kynurenine as substrate measured after 5 to 30 mins


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair