Found 10 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 2' and Ligand = 'BDBM50041978' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heriot-Watt University
Curated by ChEMBL
| Assay Description Inhibition of SK2 (unknown origin) |
J Med Chem 62: 3658-3676 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00162 BindingDB Entry DOI: 10.7270/Q2QV3QZ4 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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| | n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonistic activity against (-)-phenylephrine-induced contraction of rat spleen (Alpha-1B adrenergic receptor ) |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant |
J Med Chem 60: 2562-2572 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00070 BindingDB Entry DOI: 10.7270/Q27P91PG |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6 tagged SphK2 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1... |
Bioorg Med Chem 25: 3046-3052 (2017)
Article DOI: 10.1016/j.bmc.2017.03.059 BindingDB Entry DOI: 10.7270/Q2XD144Z |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Heriot-Watt University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged SK2 expressed in baculovirus infected Sf9 insect cells using Sph as substrate measu... |
J Med Chem 62: 3658-3676 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00162 BindingDB Entry DOI: 10.7270/Q2QV3QZ4 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00040 BindingDB Entry DOI: 10.7270/Q2959NNX |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SphK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127754 BindingDB Entry DOI: 10.7270/Q2H41W4K |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00040 BindingDB Entry DOI: 10.7270/Q2959NNX |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of SK2 (unknown origin) |
J Med Chem 59: 965-84 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01439 BindingDB Entry DOI: 10.7270/Q2WW7KJH |
More data for this Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of SK1 (unknown origin) |
J Med Chem 59: 965-84 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01439 BindingDB Entry DOI: 10.7270/Q2WW7KJH |
More data for this Ligand-Target Pair | |