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PubMed code 18455394

Compile data set for download or QSAR
Found 34 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
D-amino-acid oxidase


(Homo sapiens (human))
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a 141n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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n/an/a 238n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a 245n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260727
PNG
(6H-thieno[2,3-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2ccsc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10)
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n/an/a 269n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260721
PNG
(4,5-dichlorofuran-2-carboxylic acid | CHEMBL511101)
Show SMILES OC(=O)c1cc(Cl)c(Cl)o1
Show InChI InChI=1S/C5H2Cl2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
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n/an/a 343n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM23174
PNG
(6-chloro-1,2-benzoxazol-3-ol | 6-chlorobenzo[d]iso...)
Show SMILES Clc1ccc2c(c1)o[nH]c2=O
Show InChI InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
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n/an/a 507n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260726
PNG
(4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid | CHEM...)
Show SMILES OC(=O)c1cc2scnc2[nH]1
Show InChI InChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)
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n/an/a 516n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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n/an/a 745n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260773
PNG
(3-cyano-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ...)
Show SMILES OC(=O)c1cc2scc(C#N)c2[nH]1
Show InChI InChI=1S/C8H4N2O2S/c9-2-4-3-13-6-1-5(8(11)12)10-7(4)6/h1,3,10H,(H,11,12)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260730
PNG
(3-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc2occ(Cl)c2[nH]1
Show InChI InChI=1S/C7H4ClNO3/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260728
PNG
(4H-pyrrolo[3,2-d]thiazole-5-carboxylic acid | CHEM...)
Show SMILES OC(=O)c1cc2ncsc2[nH]1
Show InChI InChI=1S/C6H4N2O2S/c9-6(10)4-1-3-5(8-4)11-2-7-3/h1-2,8H,(H,9,10)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260724
PNG
(4H-pyrrolo[2,3-d]oxazole-5-carboxylic acid | CHEMB...)
Show SMILES OC(=O)c1cc2ocnc2[nH]1
Show InChI InChI=1S/C6H4N2O3/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260770
PNG
(3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxyl...)
Show SMILES OCc1coc2cc([nH]c12)C(O)=O
Show InChI InChI=1S/C8H7NO4/c10-2-4-3-13-6-1-5(8(11)12)9-7(4)6/h1,3,9-10H,2H2,(H,11,12)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260772
PNG
(2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid...)
Show SMILES OC(=O)c1cc2sc(Cl)cc2[nH]1
Show InChI InChI=1S/C7H4ClNO2S/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260808
PNG
(3-(3-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...)
Show SMILES OC(=O)c1cc2occ(-c3cccc(Cl)c3)c2[nH]1
Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-2-7(4-8)9-6-18-11-5-10(13(16)17)15-12(9)11/h1-6,15H,(H,16,17)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM23174
PNG
(6-chloro-1,2-benzoxazol-3-ol | 6-chlorobenzo[d]iso...)
Show SMILES Clc1ccc2c(c1)o[nH]c2=O
Show InChI InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DDO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DDO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260771
PNG
(2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic ac...)
Show SMILES Cc1oc2cc([nH]c2c1C)C(O)=O
Show InChI InChI=1S/C9H9NO3/c1-4-5(2)13-7-3-6(9(11)12)10-8(4)7/h3,10H,1-2H3,(H,11,12)
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Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260776
PNG
(2-(3-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...)
Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-2-7(4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260807
PNG
(3-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...)
Show SMILES OC(=O)c1cc2occ(-c3ccc(Cl)cc3)c2[nH]1
Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)9-6-18-11-5-10(13(16)17)15-12(9)11/h1-6,15H,(H,16,17)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DDO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260729
PNG
(1,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic aci...)
Show SMILES OC(=O)c1cc2n[nH]cc2[nH]1
Show InChI InChI=1S/C6H5N3O2/c10-6(11)4-1-3-5(8-4)2-7-9-3/h1-2,8H,(H,7,9)(H,10,11)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260775
PNG
(2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxy...)
Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260809
PNG
(3-(pyridin-3-yl)-4H-furo[3,2-b]pyrrole-5-carboxyli...)
Show SMILES OC(=O)c1cc2occ(-c3cccnc3)c2[nH]1
Show InChI InChI=1S/C12H8N2O3/c15-12(16)9-4-10-11(14-9)8(6-17-10)7-2-1-3-13-5-7/h1-6,14H,(H,15,16)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260769
PNG
(2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc2oc(Cl)cc2[nH]1
Show InChI InChI=1S/C7H4ClNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260723
PNG
(1H-pyrrole-2-carboxylic acid | 2-pyrrolecarboxylic...)
Show SMILES OC(=O)c1ccc[nH]1
Show InChI InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM50260721
PNG
(4,5-dichlorofuran-2-carboxylic acid | CHEMBL511101)
Show SMILES OC(=O)c1cc(Cl)c(Cl)o1
Show InChI InChI=1S/C5H2Cl2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DDO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260777
PNG
(2-(2,4-dichlorophenyl)-4H-furo[3,2-b]pyrrole-5-car...)
Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H7Cl2NO3/c14-6-1-2-7(8(15)3-6)11-4-9-12(19-11)5-10(16-9)13(17)18/h1-5,16H,(H,17,18)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-amino-acid oxidase


(Homo sapiens (human))
BDBM50260774
PNG
(2-phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc2oc(cc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C13H9NO3/c15-13(16)10-7-12-9(14-10)6-11(17-12)8-4-2-1-3-5-8/h1-7,14H,(H,15,16)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DAO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of human DDO


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 18: 3386-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.020
BindingDB Entry DOI: 10.7270/Q2WQ03KS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%