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BDBM31147 4H-furo[3,2-b]pyrrole-5-carboxylic acid::5-carboxyfuro[3,2-b]pyrrole, 1::CHEMBL492591

SMILES: OC(=O)c1cc2occc2[nH]1

InChI Key: InChIKey=MMAIBGHDBYQYDI-UHFFFAOYSA-N

Data: 1 KI  14 IC50  4 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 31147   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-Amino Acid Oxidase (DAAO)


(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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36n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot...


J Med Chem 56: 1894-907 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated potassium channel


(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



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by whole cell voltage patch clamp technique


Eur J Med Chem 46: 4808-19 (2011)

More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(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/an/a 29n/an/an/an/an/a



Pfizer



Assay Description
Binding affinity and kinetics were measured using biotinylated recombinant human DAAO bound to a Neutravidin surface in a Biacore binding assay. A cu...


J Med Chem 52: 3576-85 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
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 424n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)

More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

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)

More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(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 17.2n/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO expressed in Escherichia coli assessed as H2O2 production from D-serine degradation after 30 mins by fluorescenc...


Eur J Med Chem 46: 4808-19 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(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/an/a 14n/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO by isothermal titration calorimeter analysis


Eur J Med Chem 46: 4808-19 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(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/an/a 3.10n/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO by kinetic study scintillation proximity assay


Eur J Med Chem 46: 4808-19 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(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/an/a 37n/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO by steady state study scintillation proximity assay


Eur J Med Chem 46: 4808-19 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(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 214n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-alanine as substrate by colorimetric assay


J Med Chem 56: 1894-907 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(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 177n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay


J Med Chem 56: 1894-907 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine racemase


(Homo sapiens)
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+5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


J Med Chem 56: 1894-907 (2013)

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>1.00E+5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assa...


J Med Chem 56: 1894-907 (2013)

More data for this
Ligand-Target Pair
D-aspartate oxidase


(Bos taurus)
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



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant DASPO expressed in Escherichia coli preincubated for 15 mins by fluorescence assay


Eur J Med Chem 46: 4808-19 (2011)

More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(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 9n/an/an/an/a8.522



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...


J Med Chem 52: 3576-85 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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>1.95E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)

More data for this
Ligand-Target Pair