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BDBM50104457 CHEMBL85239::[(R)-1-{12-[(2-Chloro-phenoxy)-hydroxy-phosphoryloxy]-dodecylcarbamoyl}-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester; compound with triethyl-amine

SMILES: CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl

InChI Key: InChIKey=PCLSKDHCABSMIT-SSEXGKCCSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104457   
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))
BDBM50104457
PNG
(CHEMBL85239 | [(R)-1-{12-[(2-Chloro-phenoxy)-hydro...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C34H49ClN3O7P/c1-34(2,3)44-33(40)38-30(24-26-25-37-29-20-14-12-18-27(26)29)32(39)36-22-16-10-8-6-4-5-7-9-11-17-23-43-46(41,42)45-31-21-15-13-19-28(31)35/h12-15,18-21,25,30,37H,4-11,16-17,22-24H2,1-3H3,(H,36,39)(H,38,40)(H,41,42)/t30-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.83E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair