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BDBM50433394 CHEMBL2375623

SMILES: C=CCOc1ccc(cc1)N1CCN(CC1)c1cc(nc2ccccc12)-c1ccccn1

InChI Key: InChIKey=ORIRHPVKIBSZNT-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50433394   
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
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM50433394
PNG
(CHEMBL2375623)
Show SMILES C=CCOc1ccc(cc1)N1CCN(CC1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C27H26N4O/c1-2-19-32-22-12-10-21(11-13-22)30-15-17-31(18-16-30)27-20-26(25-9-5-6-14-28-25)29-24-8-4-3-7-23(24)27/h2-14,20H,1,15-19H2
PDB
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Article
PubMed
n/an/an/an/a 590n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Co2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50433394
PNG
(CHEMBL2375623)
Show SMILES C=CCOc1ccc(cc1)N1CCN(CC1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C27H26N4O/c1-2-19-32-22-12-10-21(11-13-22)30-15-17-31(18-16-30)27-20-26(25-9-5-6-14-28-25)29-24-8-4-3-7-23(24)27/h2-14,20H,1,15-19H2
PDB
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 2 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM50433394
PNG
(CHEMBL2375623)
Show SMILES C=CCOc1ccc(cc1)N1CCN(CC1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C27H26N4O/c1-2-19-32-22-12-10-21(11-13-22)30-15-17-31(18-16-30)27-20-26(25-9-5-6-14-28-25)29-24-8-4-3-7-23(24)27/h2-14,20H,1,15-19H2
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.70E+4n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair