Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50369961'   

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))	BDBM50369961 (CHEMBL1202373) Show SMILES OCC[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](CCO)cc2)c2ccc([nH]2)c(-c2cc[n+](CCO)cc2)c2ccc([nH]2)c(-c2cc[n+](CCO)cc2)c2ccc1n2 Show InChI InChI=1S/C48H45N8O4/c57-29-25-53-17-9-33(10-18-53)45-37-1-2-38(49-37)46(34-11-19-54(20-12-34)26-30-58)40-5-6-42(51-40)48(36-15-23-56(24-16-36)28-32-60)44-8-7-43(52-44)47(41-4-3-39(45)50-41)35-13-21-55(22-14-35)27-31-59/h1-24,57-60H,25-32H2,(H,49,50,51,52)/q+3/p+1/b45-37-,45-39-,46-38-,46-40-,47-41-,47-43-,48-42-,48-44-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Apparent telomerase inhibition by mixed mechanism				J Med Chem 44: 4509-23 (2001) BindingDB Entry DOI: 10.7270/Q25Q4WVW
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