BDBM50041978 CHEMBL3134157

SMILES Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4

InChI Key InChIKey=NPUXORBZRBIOMQ-UHFFFAOYSA-N

Data  10 KI  48 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 50041978   

TargetActivated CDC42 kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ACK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of VEGFR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of VEGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of VEGFR3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDGFRalpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PDGFRbeta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of RET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FLT3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ERBB2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ERBB4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetTyrosine-protein kinase ABL1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ABL (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetEphrin type-A receptor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EPHA2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetEphrin type-B receptor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of EPHB2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of SPHK1 (unknown origin) using sphingosine-fluorescein as substrate incubated for 1 hr in presence of ATP by mobility shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetInsulin-like growth factor 1 receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IGF1R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInsulin receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Insulin receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetFibroblast growth factor receptor 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FGFR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetFibroblast growth factor receptor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetFibroblast growth factor receptor 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FGFR3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetFibroblast growth factor receptor 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of FGFR4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMacrophage colony-stimulating factor 1 receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CSF1R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of C-terminal His6-tagged human SPHK1 expressed in baculovirus infected Sf21 insect cells using FITC-sphingosine as substrate preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of SPHK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 107nMAssay Description:Inhibition of SphK1 (unknown origin) using D-Sph as substrate incubated for 40 mins by ADP-Glo Plus luminescence kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 480nMAssay Description:Inhibition of SphK2 (unknown origin) using NBD-Sph as substrate by fluorescent plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of recombinant human C-terminus His-tagged SphK1 expressed in baculovirus infected Sf21 cells using FITC-sphingosine as substrate preincub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 356nMAssay Description:Inhibition of recombinant human C-terminus His-tagged SphK2 expressed in baculovirus infected Sf21 cells using FITC-sphingosine as substrate preincub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKd:  5nMAssay Description:Binding affinity to SK1 (unknown origin) assessed as inhibition of sphingosine phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 356nMAssay Description:Inhibition of SPHK2 (unknown origin) by FITC-based caliper assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2019
Entry Details Article
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 2nMAssay Description:Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 20nMAssay Description:Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 387nMAssay Description:Inhibition of recombinant His-tagged human SK1 assessed as production of [32P]-S1P using 10 uM sphingosine as substrate by TLC method in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of recombinant C-terminal His6-tagged human SphK1 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 360nMAssay Description:Inhibition of human recombinant C-terminal His6 tagged SphK2 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2019
Entry Details Article
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant SK1 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 28nMAssay Description:Inhibition of GFP-tagged SK1 (unknown origin) expressed in HEK293 cells using Sph as substrate measured after 30 mins in presence of [gamma32P]ATP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human full-length N-terminal His-tagged SK2 expressed in baculovirus infected Sf9 insect cells using Sph as substrate measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 3nMAssay Description:Inhibition of SK1 (unknown origin) using 3 uM of sphingosine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 28nMAssay Description:Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 40nMAssay Description:Inhibition of SphK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of SphK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of recombinant human SK2 assessed as production of [32P] S1P using 10 uM sphingosine as substrate by TLC method in presence of 100 uM [gam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetSphingosine kinase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SPHK2 (unknown origin) using sphingosine-fluorescein as substrate incubated for 1 hr in presence of ATP by mobility shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSphingosine kinase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  3.60nMAssay Description:Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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