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BDBM50150622 CHEMBL184587::Hexanedioic acid {4-[3,6-bis-(3-pyrrolidin-1-yl-propionylamino)-acridin-9-ylamino]-phenyl}-amide (2-diethylamino-ethyl)-amide::N1-(4-(3,6-bis(3-(pyrrolidin-1-yl)propanamido)acridin-9-ylamino)phenyl)-N6-(2-(diethylamino)ethyl)adipamide

SMILES: CCN(CC)CCNC(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1

InChI Key: InChIKey=OHRRVGUOAWHKDN-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150622   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50150622
PNG
(CHEMBL184587 | Hexanedioic acid {4-[3,6-bis-(3-pyr...)
Show SMILES CCN(CC)CCNC(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C45H61N9O4/c1-3-52(4-2)30-23-46-41(55)11-5-6-12-42(56)47-33-13-15-34(16-14-33)50-45-37-19-17-35(48-43(57)21-28-53-24-7-8-25-53)31-39(37)51-40-32-36(18-20-38(40)45)49-44(58)22-29-54-26-9-10-27-54/h13-20,31-32H,3-12,21-30H2,1-2H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)(H,50,51)
PDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 98n/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))
BDBM50150622
PNG
(CHEMBL184587 | Hexanedioic acid {4-[3,6-bis-(3-pyr...)
Show SMILES CCN(CC)CCNC(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C45H61N9O4/c1-3-52(4-2)30-23-46-41(55)11-5-6-12-42(56)47-33-13-15-34(16-14-33)50-45-37-19-17-35(48-43(57)21-28-53-24-7-8-25-53)31-39(37)51-40-32-36(18-20-38(40)45)49-44(58)22-29-54-26-9-10-27-54/h13-20,31-32H,3-12,21-30H2,1-2H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)(H,50,51)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 98n/an/an/an/a



University of London School of Pharmacy

Curated by ChEMBL


Assay Description
Effective concentration against telomerase by TRAP


Bioorg Med Chem Lett 14: 4347-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.090
BindingDB Entry DOI: 10.7270/Q2KD1XDZ
More data for this
Ligand-Target Pair