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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 = 'BDBM50058031'   
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))
BDBM50058031
PNG
(CHEMBL3330784)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(N)c2sccc12
Show InChI InChI=1S/C19H17N5O2S.ClH/c20-14-12-13(17(26)10-4-2-1-3-9(10)16(12)25)15(11-5-8-27-18(11)14)23-6-7-24-19(21)22;/h1-5,8,23H,6-7,20H2,(H4,21,22,24);1H
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 900n/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))
BDBM50058031
PNG
(CHEMBL3330784)
Show SMILES Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(N)c2sccc12
Show InChI InChI=1S/C19H17N5O2S.ClH/c20-14-12-13(17(26)10-4-2-1-3-9(10)16(12)25)15(11-5-8-27-18(11)14)23-6-7-24-19(21)22;/h1-5,8,23H,6-7,20H2,(H4,21,22,24);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 2.00E+3n/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