Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50104495'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50104495 ((R)-4-tert-Butoxycarbonylamino-4-[(R)-1-{12-[(2-ch...) Show SMILES CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl Show InChI InChI=1S/C46H62ClN4O10P/c1-46(2,3)60-45(55)51-39(27-28-42(52)58-33-34-21-13-12-14-22-34)44(54)50-40(31-35-32-49-38-25-17-15-23-36(35)38)43(53)48-29-19-10-8-6-4-5-7-9-11-20-30-59-62(56,57)61-41-26-18-16-24-37(41)47/h12-18,21-26,32,39-40,49H,4-11,19-20,27-31,33H2,1-3H3,(H,48,53)(H,50,54)(H,51,55)(H,56,57)/t39-,40-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/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
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