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Assay Detail

CHEMBL3598469

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

Binding
Displacement of [3H]-citalopram from gerbil SERT expressed in HEK293 cell membranes incubated for 60 mins by liquid scintillation counting method
49
Total Activities
49
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Gerbillinae
Cell Type HEK293
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Biaryls as potent, tunable dual neurokinin 1 receptor antagonists and serotonin transporter inhibitors.
Degnan AP, Tora GO, Han Y, Rajamani R, Bertekap R, Krause R, Davis CD, Hu J, Morgan D, Taylor SJ, Krause K, Li YW, Mattson G, Cunningham MA, Taber MT, Lodge NJ, Bronson JJ, Gillman KW, Macor JE.
Bioorg Med Chem Lett (2015) 25 : 3039 -3043
PubMed 26048800 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 49 7.81 8.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3596476 1 8.82
CHEMBL3596474 1 8.74
CHEMBL3596489 1 8.57
CHEMBL3596488 1 8.51
CHEMBL3596464 1 8.46
CHEMBL3596478 1 8.46
CHEMBL3596486 1 8.43
CHEMBL3596455 1 8.43
CHEMBL3596490 1 8.40
CHEMBL3596483 1 8.40
CHEMBL3596458 1 8.39
CHEMBL3596470 1 8.38
CHEMBL3596465 1 8.38
CHEMBL3596468 1 8.20
CHEMBL3596461 1 8.19
CHEMBL3596477 1 8.19
CHEMBL3596485 1 8.15
CHEMBL3596479 1 8.14
CHEMBL3596200 1 8.13
CHEMBL3596462 1 8.12
CHEMBL3596452 1 8.07
CHEMBL3596484 1 8.05
CHEMBL3596492 1 8.02
CHEMBL3596454 1 8.02
CHEMBL3596491 1 8.00
CHEMBL3596467 1 8.00
CHEMBL3596463 1 7.89
CHEMBL3596480 1 7.85
CHEMBL3596466 1 7.85
CHEMBL3596482 1 7.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3596476 IC50 = 1.5 nM 8.82
CHEMBL3596474 IC50 = 1.8 nM 8.74
CHEMBL3596489 IC50 = 2.7 nM 8.57
CHEMBL3596488 IC50 = 3.1 nM 8.51
CHEMBL3596464 IC50 = 3.5 nM 8.46
CHEMBL3596478 IC50 = 3.5 nM 8.46
CHEMBL3596486 IC50 = 3.7 nM 8.43
CHEMBL3596455 IC50 = 3.7 nM 8.43
CHEMBL3596490 IC50 = 4.0 nM 8.40
CHEMBL3596483 IC50 = 4.0 nM 8.40
CHEMBL3596458 IC50 = 4.1 nM 8.39
CHEMBL3596470 IC50 = 4.2 nM 8.38
CHEMBL3596465 IC50 = 4.2 nM 8.38
CHEMBL3596468 IC50 = 6.3 nM 8.20
CHEMBL3596477 IC50 = 6.4 nM 8.19
CHEMBL3596461 IC50 = 6.4 nM 8.19
CHEMBL3596485 IC50 = 7.0 nM 8.15
CHEMBL3596479 IC50 = 7.3 nM 8.14
CHEMBL3596200 IC50 = 7.4 nM 8.13
CHEMBL3596462 IC50 = 7.6 nM 8.12
CHEMBL3596452 IC50 = 8.6 nM 8.07
CHEMBL3596484 IC50 = 8.9 nM 8.05
CHEMBL3596492 IC50 = 9.5 nM 8.02
CHEMBL3596454 IC50 = 9.6 nM 8.02
CHEMBL3596491 IC50 = 10.0 nM 8.00
CHEMBL3596467 IC50 = 10.0 nM 8.00
CHEMBL3596463 IC50 = 13.0 nM 7.89
CHEMBL3596480 IC50 = 14.0 nM 7.85
CHEMBL3596466 IC50 = 14.0 nM 7.85
CHEMBL3596482 IC50 = 15.0 nM 7.82
CHEMBL3596456 IC50 = 16.0 nM 7.80
CHEMBL3596457 IC50 = 18.0 nM 7.75
CHEMBL3596475 IC50 = 25.0 nM 7.60
CHEMBL3596481 IC50 = 27.0 nM 7.57
CHEMBL3596471 IC50 = 27.0 nM 7.57
CHEMBL3596469 IC50 = 30.0 nM 7.52
CHEMBL3596473 IC50 = 36.0 nM 7.44
CHEMBL3596449 IC50 = 37.0 nM 7.43
CHEMBL3596472 IC50 = 45.0 nM 7.35
CHEMBL3596487 IC50 = 47.0 nM 7.33
CHEMBL3596453 IC50 = 50.0 nM 7.30
CHEMBL3596451 IC50 = 57.0 nM 7.24
CHEMBL3596450 IC50 = 70.0 nM 7.16
CHEMBL3596459 IC50 = 110.0 nM 6.96
CHEMBL3596460 IC50 = 120.0 nM 6.92
CHEMBL3596493 IC50 = 420.0 nM 6.38
CHEMBL3596494 IC50 = 450.0 nM 6.35
CHEMBL3596496 IC50 = 800.0 nM 6.10
CHEMBL3596495 IC50 = 2100.0 nM 5.68