Reaction Details |
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Target | Cholesteryl ester transfer protein |
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Ligand | BDBM50128142 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_636763 (CHEMBL1167052) |
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IC50 | 49±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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BDBM50128142 |
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n/a |
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Name | BDBM50128142 |
Synonyms: | (R)-3-((3-(4-chloro-3-ethylphenoxy)phenyl)(2-fluoro-5-(trifluoromethyl)benzyl)amino)-1,1,1-trifluoropropan-2-ol | 3-[[3-(4-Chloro-3-ethyl-phenoxy)-phenyl]-(2-fluoro-5-trifluoromethyl-benzyl)-amino]-1,1,1-trifluoro-propan-2-ol | CHEMBL440128 |
Type | Small organic molecule |
Emp. Form. | C25H21ClF7NO2 |
Mol. Mass. | 535.882 |
SMILES | CCc1cc(Oc2cccc(c2)N(C[C@@H](O)C(F)(F)F)Cc2cc(ccc2F)C(F)(F)F)ccc1Cl |
Structure |
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