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BDBM50175442 5-(2-chlorophenyl)furan-2-carboxylic acid::CHEMBL200238::cid_784625

SMILES: OC(=O)c1ccc(o1)-c1ccccc1Cl

InChI Key: InChIKey=PJGGWIHXGHQXMM-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 2 PDB IDs match 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 11 hits for monomerid = 50175442   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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PubMed
n/an/a 1.16E+5n/an/an/an/an/an/a



Graduate School of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Fe(II) form of Escherichia coli MetAP


Bioorg Med Chem Lett 15: 5386-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.019
BindingDB Entry DOI: 10.7270/Q2HH6JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 511n/an/an/an/an/an/a



Graduate School of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Mn(II) form of Escherichia coli MetAP


Bioorg Med Chem Lett 15: 5386-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.019
BindingDB Entry DOI: 10.7270/Q2HH6JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 1.41E+5n/an/an/an/an/an/a



Graduate School of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Ni(II) form of Escherichia coli MetAP


Bioorg Med Chem Lett 15: 5386-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.019
BindingDB Entry DOI: 10.7270/Q2HH6JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 1.38E+5n/an/an/an/an/an/a



Graduate School of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Co(II) form of Escherichia coli MetAP


Bioorg Med Chem Lett 15: 5386-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.019
BindingDB Entry DOI: 10.7270/Q2HH6JNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 1.41E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli methionine aminopeptidase in presence of 10 uM Nickel


J Med Chem 50: 5735-42 (2007)


Article DOI: 10.1021/jm700930k
BindingDB Entry DOI: 10.7270/Q2JQ10R2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 510n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli methionine aminopeptidase in presence of 100 uM Manganese


J Med Chem 50: 5735-42 (2007)


Article DOI: 10.1021/jm700930k
BindingDB Entry DOI: 10.7270/Q2JQ10R2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 780n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli methionine aminopeptidase in presence of 5 uM Manganese


J Med Chem 50: 5735-42 (2007)


Article DOI: 10.1021/jm700930k
BindingDB Entry DOI: 10.7270/Q2JQ10R2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 1.16E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli methionine aminopeptidase in presence of 6 uM Iron


J Med Chem 50: 5735-42 (2007)


Article DOI: 10.1021/jm700930k
BindingDB Entry DOI: 10.7270/Q2JQ10R2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli methionine aminopeptidase in presence of 1 uM Cobalt


J Med Chem 50: 5735-42 (2007)


Article DOI: 10.1021/jm700930k
BindingDB Entry DOI: 10.7270/Q2JQ10R2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175442
PNG
(5-(2-chlorophenyl)furan-2-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
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n/an/a 1.38E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli methionine aminopeptidase in presence of 100 uM Cobalt


J Med Chem 50: 5735-42 (2007)


Article DOI: 10.1021/jm700930k
BindingDB Entry DOI: 10.7270/Q2JQ10R2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)