BDBM50041978 CHEMBL3134157

SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1

InChI Key InChIKey=NPUXORBZRBIOMQ-RUZDIDTESA-N

Data  10 KI  46 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50041978   

TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  3.60nMAssay Description:Inhibition of human C-terminal His6-tagged SphK1 expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  3.60nMAssay Description:Competitive inhibition of recombinant human C-terminal His-tagged SphK1 expressed in baculovirus infected Sf21 cells using varying concentrations of ...More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  3.60nMAssay Description:Competitive-inhibition of recombinant human C-terminal His6-tagged Sphk1 expressed in baculovirus infected Sf21 insect cells using varying levels of ...More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  3.60nMAssay Description:Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingo...More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  3.60nMAssay Description:Inhibition of recombinant human C-terminal His-tagged SPHK1 expressed in fall armyworm sf21 cells using sphingosine as substrate after 1 hr by FITC-b...More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  4nMAssay Description:Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrateMore data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataKi:  4.30nMAssay Description:Inhibition of His6 tagged human SphK1 expressed in Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins prior substrate addition b...More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50:  40nMAssay Description:Inhibition of SphK1 (unknown origin)More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50:  2.70nMAssay Description:Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50:  2.70nMAssay Description:Effective concentration for human progesterone receptor in T47D human breast cancer cellMore data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

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
TargetSphingosine kinase 1(Homo sapiens (Human))
Universidad Nacional De San Luis

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)
Affinity DataIC50:  28nMAssay 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