Reaction Details | |||
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Target | Cholesteryl ester transfer protein | ||
Ligand | BDBM50250366 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_1681594 | ||
IC50 | 62±n/a nM | ||
Citation | Yamada, K; Brousseau, M; Honma, W; Iimura, A; Imase, H; Iwaki, Y; Kawanami, T; LaSala, D; Liang, G; Mitani, H; Nonomura, K; Ohmori, O; Pan, M; Rigel, DF; Umemura, I; Yasoshima, K; Zhu, G; Mogi, M Discovery of a Novel Piperidine-Based Inhibitor of Cholesteryl Ester Transfer Protein (CETP) That Retains Activity in Hypertriglyceridemic Plasma. J Med Chem60:8466-8481 (2017) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cholesteryl ester transfer protein | |||
Name: | Cholesteryl ester transfer protein | ||
Synonyms: | CETP | CETP_HUMAN | Cholesteryl ester transfer protein (CETP) | Lipid transfer protein I | ||
Type: | Enzyme | ||
Mol. Mass.: | 54751.53 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P11597 | ||
Residue: | 493 | ||
Sequence: |
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BDBM50250366 | |||
n/a | |||
Name | BDBM50250366 | ||
Synonyms: | CHEMBL4075773 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H40F6N6O4 | ||
Mol. Mass. | 710.7096 | ||
SMILES | CC[C@H]1C[C@H](C[C@@H](CC)N1C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1 |r,wU:4.23,6.6,2.1,13.13,wD:16.20,(37.57,-12.9,;38.91,-13.68,;40.24,-12.9,;40.24,-11.36,;41.57,-10.59,;42.9,-11.36,;42.9,-12.9,;44.24,-13.68,;45.57,-12.9,;41.57,-13.67,;41.57,-15.21,;40.24,-15.97,;42.91,-15.97,;42.91,-17.51,;44.24,-18.28,;44.23,-19.82,;42.89,-20.59,;41.56,-19.82,;41.57,-18.28,;42.89,-22.13,;41.55,-22.9,;44.22,-22.91,;41.57,-9.05,;40.24,-8.27,;40.24,-6.73,;41.58,-5.97,;41.58,-4.43,;40.24,-3.66,;38.9,-4.44,;38.91,-5.98,;37.57,-3.67,;37.56,-2.13,;36.23,-4.45,;36.23,-2.9,;42.91,-3.66,;44.25,-4.44,;42.91,-2.12,;44.24,-2.89,;42.9,-8.28,;44.24,-9.05,;45.57,-8.28,;45.57,-6.74,;44.23,-5.97,;42.9,-6.74,;46.9,-5.97,;48.3,-6.59,;49.34,-5.45,;48.56,-4.11,;49.19,-2.71,;47.05,-4.44,)| | ||
Structure |