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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'denis' and Initial = 'aa'   
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))
BDBM50237995
PNG
(CHEMBL4096688)
Show SMILES NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(OC3CC3)cc2oc1=O
PDB

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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens


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


(Homo sapiens (Human))
BDBM50237991
PNG
(CHEMBL4071986)
Show SMILES NC(CO)(CO)CO.CCOc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens


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


(Homo sapiens (Human))
BDBM50237994
PNG
(CHEMBL4082723)
Show SMILES NC(CO)(CO)CO.CCc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50238000
PNG
(CHEMBL4061977)
Show SMILES OC(=O)CCn1c2cc(Cl)ccc2oc1=O
PDB

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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50237992
PNG
(CHEMBL4061355)
Show SMILES COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237999
PNG
(CHEMBL4064834)
Show SMILES NC(CO)(CO)CO.Cc1cc2oc(=O)[nH]c2cc1Cl
PDB

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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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=1/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-/s2
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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=1/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-/s2
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238020
PNG
(CHEMBL4082172)
Show SMILES NC(CO)(CO)CO.OC(=O)CCc1noc2ccc(Cl)cc12
PDB

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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237996
PNG
(CHEMBL4075968)
Show SMILES NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(cc2oc1=O)C(F)(F)F
PDB

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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50238004
PNG
(CHEMBL4073276)
Show SMILES OC(=O)CCn1ncc2ccc(Br)cc12
PDB

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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238001
PNG
(CHEMBL4060545)
Show SMILES OC(=O)CCn1ncc2ccc(Cl)cc12
PDB

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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50238002
PNG
(CHEMBL4064480)
Show SMILES NC(CO)(CO)CO.Cc1cc(Cl)cc2[nH]c(=O)oc12
PDB

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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens


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


(Homo sapiens (Human))
BDBM50238019
PNG
(CHEMBL4078673)
Show SMILES NC(CO)(CO)CO.CC(C)Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238007
PNG
(CHEMBL4100173)
Show SMILES OC(=O)CCN1C(=O)COc2ccc(Cl)cc12
PDB

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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237997
PNG
(CHEMBL4069680)
Show SMILES OC(=O)CCn1c2cc(Cl)c(cc2oc1=O)C#N
PDB

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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237993
PNG
(CHEMBL4060848)
Show SMILES NC(CO)(CO)CO.CC(C)c1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50238012
PNG
(CHEMBL4095901)
Show SMILES OC(=O)Cn1ncc2ccc(Cl)cc12
PDB

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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50238022
PNG
(CHEMBL4064710)
Show SMILES OC(=O)CCn1ccc2ccc(Cl)cc12
PDB

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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237994
PNG
(CHEMBL4082723)
Show SMILES NC(CO)(CO)CO.CCc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237991
PNG
(CHEMBL4071986)
Show SMILES NC(CO)(CO)CO.CCOc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


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


(Pseudomonas fluorescens)
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50238010
PNG
(CHEMBL4063016)
Show SMILES OC(=O)CCn1nnc2ccc(Cl)cc12
PDB

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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50238006
PNG
(CHEMBL4105465)
Show SMILES OC(=O)CCn1c2cc(ccc2oc1=O)C#N
PDB

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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237999
PNG
(CHEMBL4064834)
Show SMILES NC(CO)(CO)CO.Cc1cc2oc(=O)[nH]c2cc1Cl
PDB

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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50238014
PNG
(CHEMBL4075997)
Show SMILES OC(Cn1ncc2ccc(Cl)cc12)C(O)=O
PDB

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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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)
BDBM50083950
PNG
((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...)
Show SMILES N[C@@H](CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)/t8-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238005
PNG
(CHEMBL4081216)
Show SMILES COc1ccc2oc(=O)n(CCC(O)=O)c2c1
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238017
PNG
(CHEMBL4083400)
Show SMILES OC(=O)CCn1ncc2cc(Cl)ccc12
PDB

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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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)
BDBM50083950
PNG
((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...)
Show SMILES N[C@@H](CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)/t8-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237995
PNG
(CHEMBL4096688)
Show SMILES NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(OC3CC3)cc2oc1=O
PDB

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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.


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)
BDBM50237999
PNG
(CHEMBL4064834)
Show SMILES NC(CO)(CO)CO.Cc1cc2oc(=O)[nH]c2cc1Cl
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50238019
PNG
(CHEMBL4078673)
Show SMILES NC(CO)(CO)CO.CC(C)Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against NE transporter


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


(Homo sapiens (Human))
BDBM50238011
PNG
(CHEMBL4071642)
Show SMILES Cc1nn(CCC(O)=O)c2cc(Cl)ccc12
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50237993
PNG
(CHEMBL4060848)
Show SMILES NC(CO)(CO)CO.CC(C)c1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50238015
PNG
(CHEMBL4070084)
Show SMILES CC(Cn1ncc2ccc(Cl)cc12)C(O)=O
PDB

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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238023
PNG
(CHEMBL4065253)
Show SMILES NC(Cn1ncc2ccc(Cl)cc12)C(O)=O
PDB

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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238003
PNG
(CHEMBL4081365)
Show SMILES Cc1ccc2cnn(CCC(O)=O)c2c1
PDB

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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238013
PNG
(CHEMBL4067033)
Show SMILES OC(=O)CCCn1ncc2ccc(Cl)cc12
PDB

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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50238000
PNG
(CHEMBL4061977)
Show SMILES OC(=O)CCn1c2cc(Cl)ccc2oc1=O
PDB

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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


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


(Homo sapiens (Human))
BDBM50238016
PNG
(CHEMBL4077344)
Show SMILES CC(CC(O)=O)n1ncc2ccc(Cl)cc12
PDB

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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


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


(Homo sapiens (Human))
BDBM50238021
PNG
(CHEMBL4093950)
Show SMILES OC(=O)CCn1c2cc(ccc2oc1=O)C(F)(F)F
PDB

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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238020
PNG
(CHEMBL4082172)
Show SMILES NC(CO)(CO)CO.OC(=O)CCc1noc2ccc(Cl)cc12
PDB

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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50237992
PNG
(CHEMBL4061355)
Show SMILES COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl
PDB

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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens


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


(Homo sapiens (Human))
BDBM50238008
PNG
(CHEMBL4090020)
Show SMILES OC(=O)CCn1c2cc(Cl)ccc2[nH]c1=O
PDB

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n/an/a<6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against dopamine DA transporter


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


(Homo sapiens (Human))
BDBM50238018
PNG
(CHEMBL3897691)
Show SMILES OC(=O)CCn1ncc2ccccc12
PDB

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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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


(Homo sapiens (Human))
BDBM50238009
PNG
(CHEMBL4084684)
Show SMILES OC(=O)CCn1cnc2ccc(Cl)cc12
PDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




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
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