Reaction Details |
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Target | Cholesteryl ester transfer protein |
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Ligand | BDBM50128134 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_636763 (CHEMBL1167052) |
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IC50 | 400±n/a nM |
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Citation | Abu Khalaf, R; Abu Sheikha, G; Bustanji, Y; Taha, MO Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic exploration. Eur J Med Chem45:1598-617 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cholesteryl ester transfer protein |
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Name: | Cholesteryl ester transfer protein |
Synonyms: | CETP | CETP_RABIT |
Type: | PROTEIN |
Mol. Mass.: | 54513.38 |
Organism: | Oryctolagus cuniculus |
Description: | ChEMBL_1504757 |
Residue: | 497 |
Sequence: | ACPKGASYEAGIVCRITKPALLVLNQETAKVVQTAFQRAGYPDVSGERAVMLLGRVKYGL
HNLQISHLSIASSQVELVDAKTIDVAIQNVSVVFKGTLNYSYTSAWGLGINQSVDFEIDS
AIDLQINTELTCDAGSVRTNAPDCYLAFHKLLLHLQGEREPGWLKQLFTNFISFTLKLIL
KRQVCNEINTISNIMADFVQTRAASILSDGDIGVDISVTGAPVITATYLESHHKGHFTHK
NVSEAFPLRAFPPGLLGDSRMLYFWFSDQVLNSLARAAFQEGRLVLSLTGDEFKKVLETQ
GFDTNQEIFQELSRGLPTGQAQVAVHCLKVPKISCQNRGVVVSSSVAVTFRFPRPDGREA
VAYRFEEDIITTVQASYSQKKLFLHLLDFQCVPASGRAGSSANLSVALRTEAKAVSNLTE
SRSESLQSSLRSLIATVGIPEVMSRLEVAFTALMNSKGLDLFEIINPEIITLDGCLLLQM
DFGFPKHLLVDFLQSLS
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BDBM50128134 |
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n/a |
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Name | BDBM50128134 |
Synonyms: | 1,1,1-Trifluoro-3-{[3-(4-isopropyl-phenoxy)-phenyl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-amino}-propan-2-ol | 1,1,1-trifluoro-3-((3-(4-isopropylphenoxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)propan-2-ol | 3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-isopropylphenoxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol | CHEMBL67512 |
Type | Small organic molecule |
Emp. Form. | C27H26F7NO3 |
Mol. Mass. | 545.4891 |
SMILES | CC(C)c1ccc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)cc1 |
Structure |
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