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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 = 'BDBM50068336'   
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))
BDBM50068336
PNG
(2,7-Bis[3-(dimethylamino)propionamido]anthraquinon...)
Show SMILES CN(C)CCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCN(C)C)cc3C(=O)c2c1
Show InChI InChI=1S/C24H28N4O4/c1-27(2)11-9-21(29)25-15-5-7-17-19(13-15)24(32)20-14-16(6-8-18(20)23(17)31)26-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,25,29)(H,26,30)
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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase


J Med Chem 42: 2679-84 (1999)


Article DOI: 10.1021/jm990084q
BindingDB Entry DOI: 10.7270/Q2DF6RX9
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50068336
PNG
(2,7-Bis[3-(dimethylamino)propionamido]anthraquinon...)
Show SMILES CN(C)CCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCN(C)C)cc3C(=O)c2c1
Show InChI InChI=1S/C24H28N4O4/c1-27(2)11-9-21(29)25-15-5-7-17-19(13-15)24(32)20-14-16(6-8-18(20)23(17)31)26-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,25,29)(H,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity of telomerase was measured using the TRAP assay.


J Med Chem 41: 4873-84 (1998)


Article DOI: 10.1021/jm981067o
BindingDB Entry DOI: 10.7270/Q2WW7GSD
More data for this
Ligand-Target Pair