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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 = 'BDBM50097332'   
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))
BDBM50097332
PNG
(12-(2-{1-[3-(3-Methyl-indol-1-yl)-propyl]-1H-indol...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCC(O)=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-27-25-36(31-18-12-10-16-29(27)31)22-15-23-37-26-28(30-17-11-13-19-32(30)37)24-33(38)35-21-14-8-6-4-2-3-5-7-9-20-34(39)40/h10-13,16-19,25-26H,2-9,14-15,20-24H2,1H3,(H,35,38)(H,39,40)
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PC cid
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097332
PNG
(12-(2-{1-[3-(3-Methyl-indol-1-yl)-propyl]-1H-indol...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCC(O)=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-27-25-36(31-18-12-10-16-29(27)31)22-15-23-37-26-28(30-17-11-13-19-32(30)37)24-33(38)35-21-14-8-6-4-2-3-5-7-9-20-34(39)40/h10-13,16-19,25-26H,2-9,14-15,20-24H2,1H3,(H,35,38)(H,39,40)
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UniChem

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Article
n/an/a 2.00E+10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) telomerase


Citation and Details

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