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PDB code 2P98

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Methionine Aminopeptidase (MAP)

  (262/262 = 100%)
(Escherichia coli (strain K12))
BDBM50225275
PNG
(CHEMBL238659 | H-imidazo[2,1-a]isoquinoline-2-carb...)
Show SMILES NNC(=O)c1cn2ccc3ccccc3c2n1
Show InChI InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 640n/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)

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

  (262/262 = 100%)
(Escherichia coli (strain K12))
BDBM50225275
PNG
(CHEMBL238659 | H-imidazo[2,1-a]isoquinoline-2-carb...)
Show SMILES NNC(=O)c1cn2ccc3ccccc3c2n1
Show InChI InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 2.44E+3n/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)

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

  (262/262 = 100%)
(Escherichia coli (strain K12))
BDBM50225275
PNG
(CHEMBL238659 | H-imidazo[2,1-a]isoquinoline-2-carb...)
Show SMILES NNC(=O)c1cn2ccc3ccccc3c2n1
Show InChI InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 4.31E+3n/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)

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

  (262/262 = 100%)
(Escherichia coli (strain K12))
BDBM50225275
PNG
(CHEMBL238659 | H-imidazo[2,1-a]isoquinoline-2-carb...)
Show SMILES NNC(=O)c1cn2ccc3ccccc3c2n1
Show InChI InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 6.15E+3n/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)

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

  (262/262 = 100%)
(Escherichia coli (strain K12))
BDBM50225275
PNG
(CHEMBL238659 | H-imidazo[2,1-a]isoquinoline-2-carb...)
Show SMILES NNC(=O)c1cn2ccc3ccccc3c2n1
Show InChI InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.74E+4n/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)

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

  (262/262 = 100%)
(Escherichia coli (strain K12))
BDBM50225275
PNG
(CHEMBL238659 | H-imidazo[2,1-a]isoquinoline-2-carb...)
Show SMILES NNC(=O)c1cn2ccc3ccccc3c2n1
Show InChI InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 2.78E+4n/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)

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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output