Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50209989 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_458976 (CHEMBL925068) |
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IC50 | 20000±n/a nM |
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Citation | Pruitt, JR; Batt, DG; Wacker, DA; Bostrom, LL; Booker, SK; McLaughlin, E; Houghton, GC; Varnes, JG; Christ, DD; Covington, M; Das, AM; Davies, P; Graden, D; Kariv, I; Orlovsky, Y; Stowell, NC; Vaddi, KG; Wadman, EA; Welch, PK; Yeleswaram, S; Solomon, KA; Newton, RC; Decicco, CP; Carter, PH; Ko, SS CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity. Bioorg Med Chem Lett17:2992-7 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2D6 |
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Name: | Cytochrome P450 2D6 |
Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
Type: | Protein |
Mol. Mass.: | 55774.82 |
Organism: | Homo sapiens (Human) |
Description: | P10635 |
Residue: | 497 |
Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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BDBM50209989 |
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n/a |
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Name | BDBM50209989 |
Synonyms: | 1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea | CHEMBL250056 |
Type | Small organic molecule |
Emp. Form. | C25H34FN5O2S |
Mol. Mass. | 487.633 |
SMILES | CC(=O)c1sc(NC(=O)N[C@@H]2CCNC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C |
Structure |
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