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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50440391'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50440391
PNG
(CHEMBL2425367)
Show SMILES CN(C)CCCNCc1ccc2nc3c(ccc4nc5ccc(CNCCCN(C)C)cc5cc34)cc2c1
Show InChI InChI=1S/C32H40N6/c1-37(2)15-5-13-33-21-23-8-11-30-26(17-23)19-25-9-12-31-28(32(25)36-30)20-27-18-24(7-10-29(27)35-31)22-34-14-6-16-38(3)4/h7-12,17-20,33-34H,5-6,13-16,21-22H2,1-4H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Universit£ degli Studi"Magna Gr£cia"

Curated by ChEMBL


Assay Description
Inhibition of telomerase (unknown origin) by TRAP assay


Eur J Med Chem 68: 139-49 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.022
BindingDB Entry DOI: 10.7270/Q24J0GJB
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50440391
PNG
(CHEMBL2425367)
Show SMILES CN(C)CCCNCc1ccc2nc3c(ccc4nc5ccc(CNCCCN(C)C)cc5cc34)cc2c1
Show InChI InChI=1S/C32H40N6/c1-37(2)15-5-13-33-21-23-8-11-30-26(17-23)19-25-9-12-31-28(32(25)36-30)20-27-18-24(7-10-29(27)35-31)22-34-14-6-16-38(3)4/h7-12,17-20,33-34H,5-6,13-16,21-22H2,1-4H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 2.82E+7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of telomerase (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9594-4
BindingDB Entry DOI: 10.7270/Q2X63QV3
More data for this
Ligand-Target Pair