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BDBM50435181 CHEMBL2392935

SMILES: Cc1nc(nc(NCC(CCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1

InChI Key: InChIKey=QJEVRTKPWCMUAX-UHFFFAOYSA-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 = 50435181   
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))
BDBM50435181
PNG
(CHEMBL2392935)
Show SMILES Cc1nc(nc(NCC(CCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
Show InChI InChI=1S/C29H30Cl2N4/c1-21-27(31)29(35-28(34-21)26-18-17-25(30)20-32-26)33-19-24(23-14-8-4-9-15-23)16-10-3-7-13-22-11-5-2-6-12-22/h2,4-6,8-9,11-12,14-15,17-18,20,24H,3,7,10,13,16,19H2,1H3,(H,33,34,35)
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 2.30E+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))
BDBM50435181
PNG
(CHEMBL2392935)
Show SMILES Cc1nc(nc(NCC(CCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
Show InChI InChI=1S/C29H30Cl2N4/c1-21-27(31)29(35-28(34-21)26-18-17-25(30)20-32-26)33-19-24(23-14-8-4-9-15-23)16-10-3-7-13-22-11-5-2-6-12-22/h2,4-6,8-9,11-12,14-15,17-18,20,24H,3,7,10,13,16,19H2,1H3,(H,33,34,35)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+5n/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