BDBM50393642 CHEMBL2158685

SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2

InChI Key InChIKey=CAOTVXGYTWCKQE-UHFFFAOYSA-N

Data  12 KI  2 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50393642   

TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of human recombinant SphK2 using NBD-sphingosine as substrate after 2 hrs by HPLC analysisMore data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation countingMore data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Competitive inhibition of human recombinant SphK2 assessed as NBD-S1P formation using NBD-Sph as substrate by HPLC analysisMore data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...More data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of SPHK2 (unknown origin)More data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged Sphk2 (2 to 593 residues) expressed in Escherichia coli using varying level of sphingosine as s...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of recombinant human full-length N-terminal His-tagged SK2 expressed in baculovirus infected Sf9 insect cells using NBD-Sph as substrate m...More data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of recombinant human SPHK2 using sphingosine as substrate by ADP-Quest assayMore data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  9.80E+3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged full length SphK2 expressed in baculovirus infected Sf9 cells using C17-sphingosine as substrat...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of SK2 (unknown origin)More data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of SK2 (unknown origin)More data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of SphK2 (unknown origin)More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human SphK1 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC methodMore data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Virginia Tech

Curated by ChEMBL
LigandPNGBDBM50393642(CHEMBL2158685)
Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2
Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of recombinant human SphK2 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC methodMore data for this Ligand-Target Pair