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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50076987'   
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))
BDBM50076987
PNG
(AKKKKKC-TAGGG | CHEMBL409746)
Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)P(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C86H133N34O37P5S/c1-40-28-116(86(133)115-72(40)122)59-24-49(54(150-59)30-144-158(134,135)82(132)47(34-163)108-78(128)46(17-7-12-22-91)107-77(127)45(16-6-11-21-90)106-76(126)44(15-5-10-20-89)105-75(125)43(14-4-9-19-88)104-74(124)42(13-3-8-18-87)103-73(123)41(2)92)154-160(138,139)146-31-55-50(25-60(151-55)117-36-99-63-67(93)97-35-98-68(63)117)156-161(140,141)147-33-57-52(27-62(153-57)120-39-102-66-71(120)111-85(96)114-81(66)131)157-162(142,143)148-32-56-51(26-61(152-56)119-38-101-65-70(119)110-84(95)113-80(65)130)155-159(136,137)145-29-53-48(121)23-58(149-53)118-37-100-64-69(118)109-83(94)112-79(64)129/h28,35-39,41-62,121,163H,3-27,29-34,87-92H2,1-2H3,(H,103,123)(H,104,124)(H,105,125)(H,106,126)(H,107,127)(H,108,128)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H2,93,97,98)(H,115,122,133)(H3,94,109,112,129)(H3,95,110,113,130)(H3,96,111,114,131)/t41-,42-,43-,44-,45-,46-,47-,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 290n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human telomerase


Bioorg Med Chem Lett 9: 1273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MCH
More data for this
Ligand-Target Pair