Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Telomerase reverse transcriptase' and Ligand = 'BDBM50104488'   

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))	BDBM50104488 (CHEMBL384288 | [(S)-1-[(S)-1-{3-[({6-[(2-Chloro-ph...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NCC(=O)NCCCCCCOP(O)(=O)Oc1ccccc1Cl Show InChI InChI=1S/C45H57ClN7O10P/c1-45(2,3)62-44(58)53-38(27-32-25-30-15-6-9-18-35(30)51-32)43(57)52-37(26-31-28-49-36-19-10-7-16-33(31)36)42(56)48-23-14-21-40(54)50-29-41(55)47-22-12-4-5-13-24-61-64(59,60)63-39-20-11-8-17-34(39)46/h6-11,15-20,25,28,37-38,49,51H,4-5,12-14,21-24,26-27,29H2,1-3H3,(H,47,55)(H,48,56)(H,50,54)(H,52,57)(H,53,58)(H,59,60)/t37-,38-/m0/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	>1.00E+5	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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