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Assay Detail

CHEMBL1040199

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay
22
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Sodium-dependent serotonin transporter (CHEMBL228)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia.
Rotella DP, McFarlane GR, Greenfield A, Grosanu C, Robichaud AJ, Denny RA, Feenstra RW, Núñez-García S, Reinders JH, Neut Mv, McCreary A, Kruse CG, Sullivan K, Pruthi F, Lai M, Zhang J, Kowal DM, Carrick T, Grauer SM, Navarra RL, Graf R, Brennan J, Marquis KL, Pausch MH.
Bioorg Med Chem Lett (2009) 19 : 5552 -5555
PubMed 19720528 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 22 7.50 9.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL566396 1 9.40
CHEMBL1508 ESCITALOPRAM 4.0 1 9.00
CHEMBL569251 2 9.00
CHEMBL567454 1 8.52
CHEMBL566379 2 8.40
CHEMBL566356 1 8.10
CHEMBL569476 1 8.00
CHEMBL568538 1 7.68
CHEMBL569513 2 7.66
CHEMBL1237165 1 7.62
CHEMBL565935 1 7.60
CHEMBL566172 1 7.39
CHEMBL566380 1 7.21
CHEMBL568103 1 7.21
CHEMBL1237149 1 6.34
CHEMBL571464 1 5.94
CHEMBL565553 1 5.92
CHEMBL2094011 1 5.33
CHEMBL566155 1 5.28

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL566396 Ki = 0.4 nM 9.40
CHEMBL1508 ESCITALOPRAM Ki = 1.0 nM 9.00
CHEMBL569251 Ki = 1.0 nM 9.00
CHEMBL567454 Ki = 3.0 nM 8.52
CHEMBL566379 Ki = 4.0 nM 8.40
CHEMBL569251 Ki = 7.0 nM 8.15
CHEMBL566356 Ki = 8.0 nM 8.10
CHEMBL569476 Ki = 10.0 nM 8.00
CHEMBL566379 Ki = 15.0 nM 7.82
CHEMBL568538 Ki = 21.0 nM 7.68
CHEMBL569513 Ki = 22.0 nM 7.66
CHEMBL1237165 Ki = 24.0 nM 7.62
CHEMBL565935 Ki = 25.0 nM 7.60
CHEMBL569513 Ki = 32.0 nM 7.50
CHEMBL566172 Ki = 41.0 nM 7.39
CHEMBL568103 Ki = 62.0 nM 7.21
CHEMBL566380 Ki = 62.0 nM 7.21
CHEMBL1237149 Ki = 460.0 nM 6.34
CHEMBL571464 Ki = 1140.0 nM 5.94
CHEMBL565553 Ki = 1200.0 nM 5.92
CHEMBL2094011 Ki = 4700.0 nM 5.33
CHEMBL566155 Ki = 5200.0 nM 5.28