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Assay Detail

CHEMBL2412224

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Binding
Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting
ChEMBL ↗
60
Total Activities
60
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Sphingosine kinase 1 (CHEMBL4394) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure guided design of a series of sphingosine kinase (SphK) inhibitors.
Gustin DJ, Li Y, Brown ML, Min X, Schmitt MJ, Wanska M, Wang X, Connors R, Johnstone S, Cardozo M, Cheng AC, Jeffries S, Franks B, Li S, Shen S, Wong M, Wesche H, Xu G, Carlson TJ, Plant M, Morgenstern K, Rex K, Schmitt J, Coxon A, Walker N, Kayser F, Wang Z.
Bioorg Med Chem Lett (2013) 23 : 4608 -4616
PubMed 23845219 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 55 6.94 8.52
Ki 5 6.23 7.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2409850 — — 1 8.52
CHEMBL2409847 — — 1 8.52
CHEMBL2409849 — — 1 8.40
CHEMBL2409886 — — 1 8.30
CHEMBL2407197 — — 1 8.30
CHEMBL2409848 — — 1 8.30
CHEMBL2409889 — — 1 8.15
CHEMBL2409888 — — 1 8.10
CHEMBL2409881 — — 1 8.00
CHEMBL2409884 — — 1 8.00
CHEMBL2407198 — — 1 8.00
CHEMBL2409865 — — 1 7.70
CHEMBL2409861 — — 1 7.70
CHEMBL2409891 — — 1 7.70
CHEMBL2409883 — — 1 7.70
CHEMBL2409880 — — 1 7.70
CHEMBL2409868 — — 1 7.52
CHEMBL2409870 — — 1 7.52
CHEMBL2409890 — — 1 7.52
CHEMBL1774587 — — 1 7.30
CHEMBL2409885 — — 1 7.30
CHEMBL2409892 — — 1 7.16
CHEMBL2409879 — — 1 7.16
CHEMBL2409859 — — 1 7.10
CHEMBL2409877 — — 1 7.10
CHEMBL2409872 — — 1 6.92
CHEMBL2409867 — — 1 6.89
CHEMBL2409846 — — 1 6.89
CHEMBL2409851 — — 1 6.85
CHEMBL2407119 — — 1 6.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2409850 — IC50 = 3.0 nM 8.52
CHEMBL2409847 — IC50 = 3.0 nM 8.52
CHEMBL2409849 — IC50 = 4.0 nM 8.40
CHEMBL2409886 — IC50 = 5.0 nM 8.30
CHEMBL2407197 — IC50 = 5.0 nM 8.30
CHEMBL2409848 — IC50 = 5.0 nM 8.30
CHEMBL2409889 — IC50 = 7.0 nM 8.15
CHEMBL2409888 — IC50 = 8.0 nM 8.10
CHEMBL2409881 — IC50 = 10.0 nM 8.00
CHEMBL2409884 — IC50 = 10.0 nM 8.00
CHEMBL2407198 — IC50 = 10.0 nM 8.00
CHEMBL2409861 — IC50 = 20.0 nM 7.70
CHEMBL2409865 — IC50 = 20.0 nM 7.70
CHEMBL2409880 — IC50 = 20.0 nM 7.70
CHEMBL2409891 — IC50 = 20.0 nM 7.70
CHEMBL2409883 — IC50 = 20.0 nM 7.70
CHEMBL2409868 — IC50 = 30.0 nM 7.52
CHEMBL2409870 — IC50 = 30.0 nM 7.52
CHEMBL2409890 — IC50 = 30.0 nM 7.52
CHEMBL1774587 — Ki = 50.0 nM 7.30
CHEMBL2409885 — IC50 = 50.0 nM 7.30
CHEMBL2409892 — IC50 = 70.0 nM 7.16
CHEMBL2409879 — IC50 = 70.0 nM 7.16
CHEMBL2409859 — IC50 = 80.0 nM 7.10
CHEMBL2409877 — IC50 = 80.0 nM 7.10
CHEMBL2409872 — IC50 = 120.0 nM 6.92
CHEMBL2409846 — IC50 = 130.0 nM 6.89
CHEMBL2409867 — IC50 = 130.0 nM 6.89
CHEMBL2409851 — IC50 = 140.0 nM 6.85
CHEMBL2407119 — IC50 = 150.0 nM 6.82
CHEMBL2409875 — IC50 = 170.0 nM 6.77
CHEMBL1092481 — Ki = 200.0 nM 6.70
CHEMBL2409862 — IC50 = 220.0 nM 6.66
CHEMBL2409864 — IC50 = 230.0 nM 6.64
CHEMBL2409876 — IC50 = 270.0 nM 6.57
CHEMBL2409882 — IC50 = 320.0 nM 6.50
CHEMBL2409887 — IC50 = 360.0 nM 6.44
CHEMBL2409869 — IC50 = 410.0 nM 6.39
CHEMBL2409863 — IC50 = 450.0 nM 6.35
CHEMBL1076555 — Ki = 500.0 nM 6.30
CHEMBL2407200 — IC50 = 580.0 nM 6.24
CHEMBL2409852 — IC50 = 920.0 nM 6.04
CHEMBL2409856 — IC50 = 1000.0 nM 6.00
CHEMBL2407092 — IC50 = 990.0 nM 6.00
CHEMBL2409860 — IC50 = 1100.0 nM 5.96
CHEMBL2409873 — IC50 = 1100.0 nM 5.96
CHEMBL583979 — Ki = 1400.0 nM 5.85
CHEMBL2407199 — IC50 = 1600.0 nM 5.80
CHEMBL2409854 — IC50 = 1800.0 nM 5.75
CHEMBL2409871 — IC50 = 2000.0 nM 5.70