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BDBM50433376 CHEMBL2375627

SMILES: Cc1nc(nc(NC[C@@H](NCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1

InChI Key: InChIKey=UZZVALJVPJZKDU-RUZDIDTESA-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 = 50433376   
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))
BDBM50433376
PNG
(CHEMBL2375627)
Show SMILES Cc1nc(nc(NC[C@@H](NCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
Show InChI InChI=1S/C28H29Cl2N5/c1-20-26(30)28(35-27(34-20)24-16-15-23(29)18-32-24)33-19-25(22-13-6-3-7-14-22)31-17-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-16,18,25,31H,8-9,12,17,19H2,1H3,(H,33,34,35)/t25-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 430n/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)

More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50433376
PNG
(CHEMBL2375627)
Show SMILES Cc1nc(nc(NC[C@@H](NCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
Show InChI InChI=1S/C28H29Cl2N5/c1-20-26(30)28(35-27(34-20)24-16-15-23(29)18-32-24)33-19-25(22-13-6-3-7-14-22)31-17-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-16,18,25,31H,8-9,12,17,19H2,1H3,(H,33,34,35)/t25-/m1/s1
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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 1 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)

More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM50433376
PNG
(CHEMBL2375627)
Show SMILES Cc1nc(nc(NC[C@@H](NCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
Show InChI InChI=1S/C28H29Cl2N5/c1-20-26(30)28(35-27(34-20)24-16-15-23(29)18-32-24)33-19-25(22-13-6-3-7-14-22)31-17-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-16,18,25,31H,8-9,12,17,19H2,1H3,(H,33,34,35)/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+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 Zn2+


J Med Chem 56: 3996-4016 (2013)

More data for this
Ligand-Target Pair