Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50246817'   

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))	BDBM50246817 (1,3-Bis(3-(4-(3-(pyrrolidin-1-yl)propanamido)pheny...) Show SMILES O=C(CCN1CCCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc3ccc(NC(=O)CCN4CCCC4)cc3)c2)cc1 Show InChI InChI=1S/C41H46N8O5/c50-37(19-25-48-21-1-2-22-48)42-31-11-15-33(16-12-31)44-39(52)29-7-5-9-35(27-29)46-41(54)47-36-10-6-8-30(28-36)40(53)45-34-17-13-32(14-18-34)43-38(51)20-26-49-23-3-4-24-49/h5-18,27-28H,1-4,19-26H2,(H,42,50)(H,43,51)(H,44,52)(H,45,53)(H2,46,47,54)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of telomerase (unknown origin) by TRAP-LIG assay				J Med Chem 51: 7751-67 (2008) Article DOI: 10.1021/jm801245v BindingDB Entry DOI: 10.7270/Q2CN73SS
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