BDBM50104495 (R)-4-tert-Butoxycarbonylamino-4-[(R)-1-{12-[(2-chloro-phenoxy)-hydroxy-phosphoryloxy]-dodecylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-butyric acid benzyl ester; compound with triethyl-amine::CHEMBL87237
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
InChI Key: InChIKey=JWWWUSJKRXOPMY-XRSDMRJBSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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...) | 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 | |||||||||||
More data for this Ligand-Target Pair |