Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50369963'   

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))	BDBM50369963 (CHEMBL1202375) Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(=O)NCCBr)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cccc(c2)C(=O)NCCBr)c2ccc1[nH]2 Show InChI InChI=1S/C50H40Br2N8O2/c1-59-26-18-32(19-27-59)46-39-12-10-37(55-39)45(31-6-8-34(9-7-31)49(61)53-24-22-51)38-11-13-40(56-38)47(33-20-28-60(2)29-21-33)42-15-17-44(58-42)48(43-16-14-41(46)57-43)35-4-3-5-36(30-35)50(62)54-25-23-52/h3-21,26-30H,22-25H2,1-2H3,(H2-,53,54,55,56,57,58,61,62)/p+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,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	1.50E+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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