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BDBM50435206 CHEMBL2392911

SMILES: Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)N1CCCC1

InChI Key: InChIKey=ZNMJIFZLXAVFEM-SANMLTNESA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435206   
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))
BDBM50435206
PNG
(CHEMBL2392911)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)N1CCCC1 |r|
Show InChI InChI=1S/C30H39ClN8O/c1-22-28(31)30(37-29(35-22)25-12-11-24(20-33-25)39-16-5-6-17-39)34-21-26(23-8-3-2-4-9-23)36-27(40)10-7-15-38-18-13-32-14-19-38/h2-4,8-9,11-12,20,26,32H,5-7,10,13-19,21H2,1H3,(H,36,40)(H,34,35,37)/t26-/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 1.70E+3n/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))
BDBM50435206
PNG
(CHEMBL2392911)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccc(cn1)N1CCCC1 |r|
Show InChI InChI=1S/C30H39ClN8O/c1-22-28(31)30(37-29(35-22)25-12-11-24(20-33-25)39-16-5-6-17-39)34-21-26(23-8-3-2-4-9-23)36-27(40)10-7-15-38-18-13-32-14-19-38/h2-4,8-9,11-12,20,26,32H,5-7,10,13-19,21H2,1H3,(H,36,40)(H,34,35,37)/t26-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+3n/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