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BDBM50104480 CHEMBL420795::Phosphoric acid 2-chloro-phenyl ester 6-({1-[4-(2-{1-[3-(3-methyl-indol-1-yl)-propyl]-1H-indol-3-yl}-acetylamino)-butyryl]-pyrrolidine-2-carbonyl}-amino)-hexyl ester; compound with triethyl-amine

SMILES: Cc1cn(CCCn2cc(CC(=O)NCCCC(=O)N3CCCC3C(=O)NCCCCCCOP(O)(=O)Oc3ccccc3Cl)c3ccccc23)c2ccccc12

InChI Key: InChIKey=PGEFLSVUJFVTNH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104480   
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))		BDBM50104480
PNG
(CHEMBL420795 | Phosphoric acid 2-chloro-phenyl est...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCC(=O)N3CCCC3C(=O)NCCCCCCOP(O)(=O)Oc3ccccc3Cl)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C43H53ClN5O7P/c1-32-30-47(37-18-7-4-15-34(32)37)25-14-26-48-31-33(35-16-5-8-19-38(35)48)29-41(50)45-24-12-22-42(51)49-27-13-20-39(49)43(52)46-23-10-2-3-11-28-55-57(53,54)56-40-21-9-6-17-36(40)44/h4-9,15-19,21,30-31,39H,2-3,10-14,20,22-29H2,1H3,(H,45,50)(H,46,52)(H,53,54)
PDB

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Similars
PubMed
n/an/a 4.69E+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