Ki Summary

Reaction Details

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Target

Cytochrome P450 2D6

Ligand

BDBM50163634

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_458976 (CHEMBL925068)

IC50

210±n/a nM

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

More Info.:

Get all data from this article, Assay Method

Cytochrome P450 2D6

Name:

Cytochrome P450 2D6

Synonyms:

Type:

Protein

Mol. Mass.:

55774.82

Organism:

Homo sapiens (Human)

Description:

P10635

Residue:

497

Sequence:

MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR

BDBM50163634

n/a

Name

BDBM50163634

Synonyms:

1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea | 1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea | CHEMBL363840

Type

Small organic molecule

Emp. Form.

C28H36FN7O

Mol. Mass.

505.6301

SMILES

Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|

Structure