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BDBM50435208 CHEMBL2392909

SMILES: Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)[N+]([O-])=O

InChI Key: InChIKey=GANWDTIDWJRKEZ-QFIPXVFZSA-N

Data: 2 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 2 hits for monomerid = 50435208   
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))
BDBM50435208
PNG
(CHEMBL2392909)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)[N+]([O-])=O |r|
Show InChI InChI=1S/C26H31ClN8O3/c1-18-24(27)26(33-25(31-18)21-10-9-20(16-29-21)35(37)38)30-17-22(19-6-3-2-4-7-19)32-23(36)8-5-13-34-14-11-28-12-15-34/h2-4,6-7,9-10,16,22,28H,5,8,11-15,17H2,1H3,(H,32,36)(H,30,31,33)/t22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435208
PNG
(CHEMBL2392909)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)[N+]([O-])=O |r|
Show InChI InChI=1S/C26H31ClN8O3/c1-18-24(27)26(33-25(31-18)21-10-9-20(16-29-21)35(37)38)30-17-22(19-6-3-2-4-7-19)32-23(36)8-5-13-34-14-11-28-12-15-34/h2-4,6-7,9-10,16,22,28H,5,8,11-15,17H2,1H3,(H,32,36)(H,30,31,33)/t22-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair