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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 = 'BDBM50134032'   
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))
BDBM50134032
PNG
(CHEMBL138811 | N,N'-(9-(cyclopropylamino)acridine-...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NC3CC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C30H38N6O2/c37-28(11-17-35-13-1-2-14-35)31-22-7-9-24-26(19-22)34-27-20-23(8-10-25(27)30(24)33-21-5-6-21)32-29(38)12-18-36-15-3-4-16-36/h7-10,19-21H,1-6,11-18H2,(H,31,37)(H,32,38)(H,33,34)
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134032
PNG
(CHEMBL138811 | N,N'-(9-(cyclopropylamino)acridine-...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NC3CC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C30H38N6O2/c37-28(11-17-35-13-1-2-14-35)31-22-7-9-24-26(19-22)34-27-20-23(8-10-25(27)30(24)33-21-5-6-21)32-29(38)12-18-36-15-3-4-16-36/h7-10,19-21H,1-6,11-18H2,(H,31,37)(H,32,38)(H,33,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



University of London

Curated by ChEMBL


Assay Description
Inhibitory activity against human telomerase


J Med Chem 46: 4463-76 (2003)


Article DOI: 10.1021/jm0308693
BindingDB Entry DOI: 10.7270/Q2RR1XN3
More data for this
Ligand-Target Pair