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Assay Detail

CHEMBL4880025

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Binding
GPCRScan assay: inhibition of 5-HT1D
ChEMBL ↗
223
Total Activities
181
Compounds Tested
2
Activity Types
12
Assay Parameters

Assay Information

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

Target

5-hydroxytryptamine receptor 1D (CHEMBL1983) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

SGC PDSP GPCRScan assays
SGC Frankfurt
(2021)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Inhibition 181 - -
Ki 42 5.87 7.04

Assay Parameters

Parameter Type Value Units Text
Parental cells Parental cells - — HEKT
PMID PMID - — 28455702/29079700
Protein length Protein length - — full-length
Radioligand conc. used [nM] Radioligand conc. used [nM] - — 1.0 – 2.0
Radioligand Kd Radioligand Kd 0.86 nM —
Radioligand name Radioligand name - — [3H]5-CT
Radioligand pKd Radioligand pKd 9.06 — —
Radioligand pKd ± SEM Radioligand pKd ± SEM 0.06 — —
Reference ligand Reference ligand - — Ergotamine
Reference ligand Ki Reference ligand Ki 4.83 nM —
Reference ligand pKi Reference ligand pKi 8.32 — —
Reference ligand pKi ± SEM Reference ligand pKi ± SEM 0.02 — —

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4520788 BAY-294 — 3 7.04
CHEMBL4535474 BAY-293 — 3 6.77
CHEMBL5094181 — — 5 6.71
CHEMBL4558518 GSI-NC — 3 6.63
CHEMBL4778870 TP-040 — 3 6.38
CHEMBL3640116 BI-1942 — 3 5.95
CHEMBL4520293 (R)-ZINC-3573 — 3 5.77
CHEMBL4748908 TP-040n — 3 5.74
CHEMBL4576555 T3-CLK-N — 3 5.55
CHEMBL4534980 (S)-ZINC-3573 — 3 5.54
CHEMBL5086970 — — 3 5.51
CHEMBL3480577 UCSF924 — 3 5.50
CHEMBL4636881 GSK046 — 3 5.46
CHEMBL4455357 TP-020 — 3 5.34
CHEMBL4445645 — — 3 5.21
CHEMBL4802038 A-446 — 5 5.19
CHEMBL5082184 — — 3 5.05
CHEMBL3697701 A-079 — 1 -
CHEMBL3701197 A-226 — 1 -
CHEMBL4586794 ABT-100 — 1 -
CHEMBL4526341 A-108 — 1 -
CHEMBL111612 ABT-546 — 1 -
CHEMBL4513786 A-545 — 1 -
CHEMBL332794 A-192621 — 1 -
CHEMBL4093612 A-1596586 — 1 -
CHEMBL4066040 A-1596584 — 1 -
CHEMBL4593677 BAY-474 — 1 -
CHEMBL4522773 BAY-827 — 1 -
CHEMBL4585243 BAY-7598 — 1 -
CHEMBL4539943 BAY-694 — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4520788 BAY-294 Ki = 92.26 nM 7.04
CHEMBL4520788 BAY-294 Ki = 93.49 nM 7.03
CHEMBL4535474 BAY-293 Ki = 169.82 nM 6.77
CHEMBL4535474 BAY-293 Ki = 181.12 nM 6.74
CHEMBL5094181 — Ki = 194.98 nM 6.71
CHEMBL5094181 — Ki = 219.42 nM 6.66
CHEMBL4558518 GSI-NC Ki = 234.42 nM 6.63
CHEMBL4558518 GSI-NC Ki = 234.0 nM 6.63
CHEMBL5094181 — Ki = 316.23 nM 6.50
CHEMBL5094181 — Ki = 318.49 nM 6.50
CHEMBL4778870 TP-040 Ki = 417.5 nM 6.38
CHEMBL4778870 TP-040 Ki = 630.96 nM 6.20
CHEMBL3640116 BI-1942 Ki = 1130.61 nM 5.95
CHEMBL3640116 BI-1942 Ki = 1122.02 nM 5.95
CHEMBL4520293 (R)-ZINC-3573 Ki = 1698.24 nM 5.77
CHEMBL4520293 (R)-ZINC-3573 Ki = 1744.1 nM 5.76
CHEMBL4748908 TP-040n Ki = 1819.7 nM 5.74
CHEMBL4748908 TP-040n Ki = 2037.31 nM 5.69
CHEMBL4576555 T3-CLK-N Ki = 2818.38 nM 5.55
CHEMBL4534980 (S)-ZINC-3573 Ki = 2884.03 nM 5.54
CHEMBL4534980 (S)-ZINC-3573 Ki = 2961.88 nM 5.53
CHEMBL4576555 T3-CLK-N Ki = 3073.3 nM 5.51
CHEMBL5086970 — Ki = 3090.3 nM 5.51
CHEMBL5086970 — Ki = 3130.83 nM 5.50
CHEMBL3480577 UCSF924 Ki = 3140.51 nM 5.50
CHEMBL3480577 UCSF924 Ki = 3247.5 nM 5.49
CHEMBL4636881 GSK046 Ki = 3467.37 nM 5.46
CHEMBL4636881 GSK046 Ki = 3438.75 nM 5.46
CHEMBL4455357 TP-020 Ki = 4570.88 nM 5.34
CHEMBL4455357 TP-020 Ki = 4658.28 nM 5.33
CHEMBL4445645 — Ki = 6165.95 nM 5.21
CHEMBL4445645 — Ki = 6174.88 nM 5.21
CHEMBL4802038 A-446 Ki = 6456.54 nM 5.19
CHEMBL4802038 A-446 Ki = 6453.57 nM 5.19
CHEMBL5082184 — Ki = 8912.51 nM 5.05
CHEMBL5082184 — Ki = 8973.8 nM 5.05
CHEMBL4635540 GSK791 Inhibition = 33.11 % -
CHEMBL4635134 GSK620 Inhibition = -21.14 % -
CHEMBL3286797 PF-04418948 Inhibition = -24.02 % -
CHEMBL4552554 PF-04475866 Inhibition = -24.94 % -
CHEMBL4530740 BI 1950 Inhibition = 12.04 % -
CHEMBL4577237 BI 9446 Inhibition = 22.43 % -
CHEMBL3137331 DEFACTINIB Inhibition = -15.19 % -
CHEMBL4518706 PF-00911705 Inhibition = 0.19 % -
CHEMBL4568735 NVS-MALT1 Inhibition = -2.45 % -
CHEMBL4584981 NVS-MALT1-C Inhibition = -3.07 % -
CHEMBL4445645 — Inhibition = 56.54 % -
CHEMBL3623630 — Inhibition = 15.5 % -
CHEMBL4802038 A-446 Ki > 10000.0 nM -
CHEMBL4544690 BI 2049 Inhibition = -9.83 % -