Ki Summary

Reaction Details

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Target

Transporter

Ligand

BDBM50084718

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_140885 (CHEMBL747308)

177±n/a nM

Citation

Wang, S; Sakamuri, S; Enyedy, IJ; Kozikowski, AP; Deschaux, O; Bandyopadhyay, BC; Tella, SR; Zaman, WA; Johnson, KM Discovery of a novel dopamine transporter inhibitor, 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, as a potential cocaine antagonist through 3D-database pharmacophore searching. Molecular modeling, structure-activity relationships, and behavioral pharmacological studies. J Med Chem43:351-60 (2000) [PubMed]

More Info.:

Get all data from this article, Assay Method

Transporter

Name:

Transporter

Synonyms:

Monoamine transporters; Norepininephrine & dopamine | Norepinephrine Monoamine transporters

Type:

PROTEIN

Mol. Mass.:

66787.87

Organism:

Rattus norvegicus

Description:

ChEMBL_1463061

Residue:

597

Sequence:

MVTRTRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLF
YMELALGQFNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFASFTLN
LPWTNCGHAWNSPNCTDPKLLNASVLGDHTKYSKYKFTPAAEFYERGVLHLHESSGIHDI
GLPQWQLLLCLMVVIVVLYVSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNG
INAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSTIN
CVTSFISGFAIFSILGYMAHEHKVKIEDVATEGAGLVFVLYPEAISTLSGSTFWAVLFFL
MLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTCAVTLGTFLLAMFCITKGGIYVLT
LLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFKPGLYWRLCWKFVSPAFLL
FVVVVSIINFKPLTYDDYVYPPWANWVGWGIALSSMILVPAYVIYKFFSIRGSLWERVAY
GITPENEHHLLALEIELSSLQSFVITSCPIDPLLSSFLFISCQKTLVFKKSGPAPLI

BDBM50084718

n/a

Name

BDBM50084718

Synonyms:

(3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-hydroxy-1-methyl-piperidin-3-yl]-methanone | CHEMBL120490

Type

Small organic molecule

Emp. Form.

C19H17Cl4NO2

Mol. Mass.

433.156

SMILES

CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

Structure