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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 = 'BDBM50058037'   
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))
BDBM50058037
PNG
(CHEMBL3330791)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2sccc12
Show InChI InChI=1S/C22H24N8O2S.ClH/c23-21(24)29-8-6-27-16-13-5-10-33-20(13)17(28-7-9-30-22(25)26)15-14(16)18(31)11-3-1-2-4-12(11)19(15)32;/h1-5,10,27-28H,6-9H2,(H4,23,24,29)(H4,25,26,30);1H
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PC cid
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Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time ...


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50058037
PNG
(CHEMBL3330791)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2sccc12
Show InChI InChI=1S/C22H24N8O2S.ClH/c23-21(24)29-8-6-27-16-13-5-10-33-20(13)17(28-7-9-30-22(25)26)15-14(16)18(31)11-3-1-2-4-12(11)19(15)32;/h1-5,10,27-28H,6-9H2,(H4,23,24,29)(H4,25,26,30);1H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate


Eur J Med Chem 85: 605-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.030
BindingDB Entry DOI: 10.7270/Q2FX7C4Z
More data for this
Ligand-Target Pair