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Assay Detail

CHEMBL4835126

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

Binding
Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate from recombinant full length C-terminal FLAG-tagged FKBP12 (unknown origin) expressed in Escherichia coli BL21 (DE2) cells incubated for 30 mins by fluorescence polarisation competition binding assay
34
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Peptidyl-prolyl cis-trans isomerase FKBP1A (CHEMBL1902)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
Bauder M, Meyners C, Purder PL, Merz S, Sugiarto WO, Voll AM, Heymann T, Hausch F.
J Med Chem (2021) 64 : 3320 -3349
PubMed 33666419 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 34 6.59 7.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4871144 1 7.66
CHEMBL4858532 1 7.42
CHEMBL4878667 1 7.36
CHEMBL4863989 1 7.23
CHEMBL4866742 1 7.21
CHEMBL4876415 1 7.18
CHEMBL4856956 1 7.10
CHEMBL4878890 1 7.07
CHEMBL4872580 1 6.95
CHEMBL4870008 1 6.90
CHEMBL4862282 1 6.87
CHEMBL4850434 1 6.86
CHEMBL4862808 1 6.72
CHEMBL4868302 1 6.67
CHEMBL4859741 1 6.61
CHEMBL4876664 1 6.58
CHEMBL4879078 1 6.53
CHEMBL4856203 1 6.46
CHEMBL4850750 1 6.45
CHEMBL4853042 1 6.32
CHEMBL4877731 1 6.31
CHEMBL4863883 1 6.28
CHEMBL4856457 1 6.27
CHEMBL4864747 1 6.23
CHEMBL4863807 1 6.23
CHEMBL4855135 1 6.22
CHEMBL4848201 1 6.13
CHEMBL4875870 1 6.12
CHEMBL4860544 1 6.10
CHEMBL4872122 1 6.09

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4871144 Kd = 22.0 nM 7.66
CHEMBL4858532 Kd = 38.0 nM 7.42
CHEMBL4878667 Kd = 44.0 nM 7.36
CHEMBL4863989 Kd = 59.0 nM 7.23
CHEMBL4866742 Kd = 62.0 nM 7.21
CHEMBL4876415 Kd = 66.0 nM 7.18
CHEMBL4856956 Kd = 79.0 nM 7.10
CHEMBL4878890 Kd = 86.0 nM 7.07
CHEMBL4872580 Kd = 113.0 nM 6.95
CHEMBL4870008 Kd = 126.0 nM 6.90
CHEMBL4862282 Kd = 135.0 nM 6.87
CHEMBL4850434 Kd = 139.0 nM 6.86
CHEMBL4862808 Kd = 192.0 nM 6.72
CHEMBL4868302 Kd = 212.0 nM 6.67
CHEMBL4859741 Kd = 247.0 nM 6.61
CHEMBL4876664 Kd = 263.0 nM 6.58
CHEMBL4879078 Kd = 295.0 nM 6.53
CHEMBL4856203 Kd = 345.0 nM 6.46
CHEMBL4850750 Kd = 354.0 nM 6.45
CHEMBL4853042 Kd = 484.0 nM 6.32
CHEMBL4877731 Kd = 494.0 nM 6.31
CHEMBL4863883 Kd = 526.0 nM 6.28
CHEMBL4856457 Kd = 532.0 nM 6.27
CHEMBL4864747 Kd = 588.0 nM 6.23
CHEMBL4863807 Kd = 584.0 nM 6.23
CHEMBL4855135 Kd = 595.0 nM 6.22
CHEMBL4848201 Kd = 744.0 nM 6.13
CHEMBL4875870 Kd = 768.0 nM 6.12
CHEMBL4860544 Kd = 798.0 nM 6.10
CHEMBL4872122 Kd = 815.0 nM 6.09
CHEMBL4866065 Kd = 1006.0 nM 6.00
CHEMBL4867024 Kd = 1008.0 nM 6.00
CHEMBL4874574 Kd = 1110.0 nM 5.96
CHEMBL4863758 Kd = 1491.0 nM 5.83