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BDBM50175447 5-(2-CHLOROBENZYL)-2-FUROIC ACID::5-(2-chlorobenzyl)furan-2-carboxylic acid::CHEMBL197550

SMILES: OC(=O)c1ccc(Cc2ccccc2Cl)o1

InChI Key: InChIKey=YRUPEIZURHOLHV-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50175447   
Target
(Institution)
LigandTarget
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
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175447
PNG
(5-(2-CHLOROBENZYL)-2-FUROIC ACID | 5-(2-chlorobenz...)
Show SMILES OC(=O)c1ccc(Cc2ccccc2Cl)o1
Show InChI InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.22E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175447
PNG
(5-(2-CHLOROBENZYL)-2-FUROIC ACID | 5-(2-chlorobenz...)
Show SMILES OC(=O)c1ccc(Cc2ccccc2Cl)o1
Show InChI InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.99E+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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175447
PNG
(5-(2-CHLOROBENZYL)-2-FUROIC ACID | 5-(2-chlorobenz...)
Show SMILES OC(=O)c1ccc(Cc2ccccc2Cl)o1
Show InChI InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.58E+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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50175447
PNG
(5-(2-CHLOROBENZYL)-2-FUROIC ACID | 5-(2-chlorobenz...)
Show SMILES OC(=O)c1ccc(Cc2ccccc2Cl)o1
Show InChI InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.91E+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


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