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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50124726'   
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))
BDBM50124726
PNG
(2-(2,6-Dichloro-benzylsulfanyl)-6-formyl-nicotinon...)
Show SMILES Clc1cccc(Cl)c1CSc1nc(C=O)ccc1C#N
Show InChI InChI=1S/C14H8Cl2N2OS/c15-12-2-1-3-13(16)11(12)8-20-14-9(6-17)4-5-10(7-19)18-14/h1-5,7H,8H2
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity of compound against HT-29 (human colon caner ) cell line was determined by SRB assay


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124726
PNG
(2-(2,6-Dichloro-benzylsulfanyl)-6-formyl-nicotinon...)
Show SMILES Clc1cccc(Cl)c1CSc1nc(C=O)ccc1C#N
Show InChI InChI=1S/C14H8Cl2N2OS/c15-12-2-1-3-13(16)11(12)8-20-14-9(6-17)4-5-10(7-19)18-14/h1-5,7H,8H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.70E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound against telomerase


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50124726
PNG
(2-(2,6-Dichloro-benzylsulfanyl)-6-formyl-nicotinon...)
Show SMILES Clc1cccc(Cl)c1CSc1nc(C=O)ccc1C#N
Show InChI InChI=1S/C14H8Cl2N2OS/c15-12-2-1-3-13(16)11(12)8-20-14-9(6-17)4-5-10(7-19)18-14/h1-5,7H,8H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.13E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity of compound against HT-29 (human colon caner ) cell line was determined by SRB assay


Bioorg Med Chem Lett 13: 609-12 (2003)


BindingDB Entry DOI: 10.7270/Q23R0S7S
More data for this
Ligand-Target Pair