Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'pyne' and Initial = 's'   

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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem 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 1 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of His6 tagged human SphK1 expressed in Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins prior substrate addition b...				ACS Med Chem Lett 5: 1329-33 (2014) Article DOI: 10.1021/ml5004074 BindingDB Entry DOI: 10.7270/Q22B90NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	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 recombinant SK2 (unknown origin) expressed in Sf9 insect cells using D-erythro-sphingosine as substrate measured in presence of [gamma3...				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 1 (Homo sapiens (Human))	BDBM50443385 (SPC-100270 | Safingol | Safingol HCl) Show SMILES CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO Show InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50017016 (CHEMBL3287036) Show SMILES CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1 Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	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) expressed in cell lysates using Sph as substrate measured in presence of [gamma32P]ATP				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))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.70E+3	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))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| 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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+3	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 recombinant human full-length N-terminal His-tagged SK2 expressed in baculovirus infected Sf9 insect cells using NBD-Sph as substrate m...				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 1 (Homo sapiens (Human))	BDBM50443389 (CHEMBL2376441) Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50004888 ((S)-Fingolimod Vinylphosphonate | CHEMBL1773676) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)\C=C\P(O)(O)=O)cc1 |r| Show InChI InChI=1S/C20H34NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,15-16,22H,2-8,13-14,17,21H2,1H3,(H2,23,24,25)/b16-15+/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Competitive inhibition of SK1 (unknown origin) in presence of ATP				Bioorg Med Chem 21: 2503-10 (2013) Article DOI: 10.1016/j.bmc.2013.02.042 BindingDB Entry DOI: 10.7270/Q26T0P1G
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| 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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of SK2 (unknown origin)				Medchemcomm 4: (2013) Article DOI: 10.1039/C3MD00201B BindingDB Entry DOI: 10.7270/Q2736TWP
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	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 recombinant SK1 (unknown origin) expressed in Sf9 insect cells using D-erythro-sphingosine as substrate measured in presence of [gamma3...				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))	BDBM50359980 (CHEMBL1927600) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)OC)cc1 |r| Show InChI InChI=1S/C19H33NO2/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-15-19(20,16-21)22-2/h10-13,21H,3-9,14-16,20H2,1-2H3/t19-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+4	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 purified SK2 (unknown origin) using Sph as substrate measured after 15 to 20 mins in presence of [gamma32P]ATP by Cerenkov counting ana...				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 1 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.60E+4	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 full-length SK1 (unknown origin) (2 to 384 residues) expressed in Escherichia coli using Sph as substrate by resorufin based fluorescen...				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				3D Structure (crystal)
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393641 (CHEMBL2158686) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COC)cc1 |r| Show InChI InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of SK2 (unknown origin)				Medchemcomm 4: (2013) Article DOI: 10.1039/C3MD00201B BindingDB Entry DOI: 10.7270/Q2736TWP
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50523497 (CHEMBL4474024) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(F)c3)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO3/c27-23-5-1-4-22(14-23)19-31-26-8-2-7-25(15-26)30-18-21-11-9-20(10-12-21)16-28-13-3-6-24(28)17-29/h1-2,4-5,7-12,14-15,24,29H,3,6,13,16-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 1 (Homo sapiens (Human))	BDBM50523496 (CHEMBL4444218) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C25H27NO5S/c27-18-22-6-5-15-26(22)17-20-11-13-21(14-12-20)19-30-23-7-4-8-24(16-23)31-32(28,29)25-9-2-1-3-10-25/h1-4,7-14,16,22,27H,5-6,15,17-19H2/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 1 (Homo sapiens (Human))	BDBM50523494 (CHEMBL4574678) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO3/c28-18-24-8-5-15-27(24)17-21-11-13-23(14-12-21)20-30-26-10-4-9-25(16-26)29-19-22-6-2-1-3-7-22/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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))	BDBM50523494 (CHEMBL4574678) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO3/c28-18-24-8-5-15-27(24)17-21-11-13-23(14-12-21)20-30-26-10-4-9-25(16-26)29-19-22-6-2-1-3-7-22/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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))	BDBM50523495 (CHEMBL4593030) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccc(F)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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))	BDBM50523501 (CHEMBL4578165) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO2S/c28-18-24-8-5-15-27(24)17-21-11-13-22(14-12-21)19-29-25-9-4-10-26(16-25)30-20-23-6-2-1-3-7-23/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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 1 (Homo sapiens (Human))	BDBM50523506 (CHEMBL4472026) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C27H31NO2/c29-20-26-9-5-17-28(26)19-24-13-15-25(16-14-24)21-30-27-10-4-8-23(18-27)12-11-22-6-2-1-3-7-22/h1-4,6-8,10,13-16,18,26,29H,5,9,11-12,17,19-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 1 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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				3D Structure (crystal)
Sphingosine kinase 1 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of recombinant SK1 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate after 30 mins				Medchemcomm 4: (2013) Article DOI: 10.1039/C3MD00201B BindingDB Entry DOI: 10.7270/Q2736TWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50523502 (CHEMBL4453199) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccc(Cl)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	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))	BDBM50523506 (CHEMBL4472026) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C27H31NO2/c29-20-26-9-5-17-28(26)19-24-13-15-25(16-14-24)21-30-27-10-4-8-23(18-27)12-11-22-6-2-1-3-7-22/h1-4,6-8,10,13-16,18,26,29H,5,9,11-12,17,19-21H2/t26-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	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 1 (Homo sapiens (Human))	BDBM50523504 (CHEMBL4454855) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3Cl)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO3/c27-26-9-2-1-5-22(26)19-31-25-8-3-7-24(15-25)30-18-21-12-10-20(11-13-21)16-28-14-4-6-23(28)17-29/h1-3,5,7-13,15,23,29H,4,6,14,16-19H2/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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))	BDBM50523493 (CHEMBL4551657) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(Cl)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO3/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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 1 (Homo sapiens (Human))	BDBM50523505 (CHEMBL4551903) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3F)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO3/c27-26-9-2-1-5-22(26)19-31-25-8-3-7-24(15-25)30-18-21-12-10-20(11-13-21)16-28-14-4-6-23(28)17-29/h1-3,5,7-13,15,23,29H,4,6,14,16-19H2/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 1 (Homo sapiens (Human))	BDBM50523503 (CHEMBL4455113) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(Cl)c3)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO3/c27-23-5-1-4-22(14-23)19-31-26-8-2-7-25(15-26)30-18-21-11-9-20(10-12-21)16-28-13-3-6-24(28)17-29/h1-2,4-5,7-12,14-15,24,29H,3,6,13,16-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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))	BDBM50523498 (CHEMBL4456309) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(F)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO3/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	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))	BDBM50523505 (CHEMBL4551903) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3F)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO3/c27-26-9-2-1-5-22(26)19-31-25-8-3-7-24(15-25)30-18-21-12-10-20(11-13-21)16-28-14-4-6-23(28)17-29/h1-3,5,7-13,15,23,29H,4,6,14,16-19H2/t23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	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))	BDBM50523499 (CHEMBL4448423) Show SMILES COc1ccc(COc2cccc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-30-25-13-11-23(12-14-25)20-32-27-6-2-5-26(16-27)31-19-22-9-7-21(8-10-22)17-28-15-3-4-24(28)18-29/h2,5-14,16,24,29H,3-4,15,17-20H2,1H3/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	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 1 (Homo sapiens (Human))	BDBM50523501 (CHEMBL4578165) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO2S/c28-18-24-8-5-15-27(24)17-21-11-13-22(14-12-21)19-29-25-9-4-10-26(16-25)30-20-23-6-2-1-3-7-23/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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))	BDBM50523497 (CHEMBL4474024) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(F)c3)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO3/c27-23-5-1-4-22(14-23)19-31-26-8-2-7-25(15-26)30-18-21-11-9-20(10-12-21)16-28-13-3-6-24(28)17-29/h1-2,4-5,7-12,14-15,24,29H,3,6,13,16-19H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	143	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 1 (Homo sapiens (Human))	BDBM50237420 (CHEMBL4090361) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C26H29NO4S/c28-18-24-7-5-15-27(24)17-21-11-13-22(14-12-21)19-31-25-8-4-6-23(16-25)20-32(29,30)26-9-2-1-3-10-26/h1-4,6,8-14,16,24,28H,5,7,15,17-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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))	BDBM50523504 (CHEMBL4454855) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3Cl)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO3/c27-26-9-2-1-5-22(26)19-31-25-8-3-7-24(15-25)30-18-21-12-10-20(11-13-21)16-28-14-4-6-23(28)17-29/h1-3,5,7-13,15,23,29H,4,6,14,16-19H2/t23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	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 1 (Homo sapiens (Human))	BDBM50523498 (CHEMBL4456309) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(F)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO3/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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))	BDBM50523503 (CHEMBL4455113) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(Cl)c3)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO3/c27-23-5-1-4-22(14-23)19-31-26-8-2-7-25(15-26)30-18-21-11-9-20(10-12-21)16-28-13-3-6-24(28)17-29/h1-2,4-5,7-12,14-15,24,29H,3,6,13,16-19H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	412	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of human AChE by spectrophotometry				J Nat Prod 77: 894-901 (2014) Article DOI: 10.1021/np400978x BindingDB Entry DOI: 10.7270/Q2GQ709W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50523495 (CHEMBL4593030) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccc(F)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28FNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	765	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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))	BDBM50523496 (CHEMBL4444218) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C25H27NO5S/c27-18-22-6-5-15-26(22)17-20-11-13-21(14-12-20)19-30-23-7-4-8-24(16-23)31-32(28,29)25-9-2-1-3-10-25/h1-4,7-14,16,22,27H,5-6,15,17-19H2/t22-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	902	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))	BDBM50523500 (CHEMBL4555776) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(cc3)C#N)c2)cc1 |r| Show InChI InChI=1S/C27H28N2O3/c28-16-21-6-10-23(11-7-21)19-31-26-4-1-5-27(15-26)32-20-24-12-8-22(9-13-24)17-29-14-2-3-25(29)18-30/h1,4-13,15,25,30H,2-3,14,17-20H2/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+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 1 (Homo sapiens (Human))	BDBM50443384 (CHEMBL3086799) Show SMILES CCCCCCCCc1ccc(CCN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-9-19-11-13-20(14-12-19)15-17-22-16-8-10-21(22)18-23/h11-14,21,23H,2-10,15-18H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of recombinant sphingosine kinase 1 (unknown origin) expressed in HEK293 cells using sphingosine as substrate after 30 mins in presence of...				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50523502 (CHEMBL4453199) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccc(Cl)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 1 (Homo sapiens (Human))	BDBM50523500 (CHEMBL4555776) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(cc3)C#N)c2)cc1 |r| Show InChI InChI=1S/C27H28N2O3/c28-16-21-6-10-23(11-7-21)19-31-26-4-1-5-27(15-26)32-20-24-12-8-22(9-13-24)17-29-14-2-3-25(29)18-30/h1,4-13,15,25,30H,2-3,14,17-20H2/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 1 (Homo sapiens (Human))	BDBM50523499 (CHEMBL4448423) Show SMILES COc1ccc(COc2cccc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-30-25-13-11-23(12-14-25)20-32-27-6-2-5-26(16-27)31-19-22-9-7-21(8-10-22)17-28-15-3-4-24(28)18-29/h2,5-14,16,24,29H,3-4,15,17-20H2,1H3/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 1 (Homo sapiens (Human))	BDBM50443387 (CHEMBL3086811) Show SMILES CCCCCCCCc1ccc(CCN2CCC(O)CC2)cc1 Show InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)13-16-22-17-14-21(23)15-18-22/h9-12,21,23H,2-8,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of recombinant sphingosine kinase 1 (unknown origin) expressed in HEK293 cells using sphingosine as substrate after 30 mins in presence of...				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50523493 (CHEMBL4551657) Show SMILES OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(Cl)cc3)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO3/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay 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...				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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem 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

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