Compile Data Set for Download or QSAR

Found 423 hits with Last Name = 'santos' and Initial = 'wl'   

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))	BDBM50562760 (CHEMBL4750447) Show SMILES Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562761 (CHEMBL4782021) Show SMILES Cl.CCCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562759 (CHEMBL4783605) Show SMILES Cl.CCCCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562758 (CHEMBL4755938) Show SMILES Cl.CCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50343725 ((S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of JAK2 V617F mutant (unknown origin) using L-Ahx-IPTSPITTTYFFFKKK-COOH as substrate in presence of ATP				Bioorg Med Chem 24: 4647-4651 (2016) Article DOI: 10.1016/j.bmc.2016.07.069 BindingDB Entry DOI: 10.7270/Q2D79FW6
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50562757 (CHEMBL3814580) Show SMILES Cl.CCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50177006 (CHEMBL3814849) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1 |r| Show InChI InChI=1S/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay 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...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
					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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingo...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Mus musculus)	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	Reactome pathway KEGG UniProtKB/SwissProt 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
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of SphK1 in mouse erythrocytes using sphingosine as substrate by luminescence assay				ACS Med Chem Lett 7: 229-34 (2016) Article DOI: 10.1021/acsmedchemlett.5b00304 BindingDB Entry DOI: 10.7270/Q22B90ZN
					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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive-inhibition of recombinant human C-terminal His6-tagged Sphk1 expressed in baculovirus infected Sf21 insect cells using varying levels of ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay 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...				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562757 (CHEMBL3814580) Show SMILES Cl.CCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562759 (CHEMBL4783605) Show SMILES Cl.CCCCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562758 (CHEMBL4755938) Show SMILES Cl.CCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562761 (CHEMBL4782021) Show SMILES Cl.CCCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562760 (CHEMBL4750447) Show SMILES Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50177006 (CHEMBL3814849) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1 |r| Show InChI InChI=1S/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50077147 (CHEMBL3416846) Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 |r| Show InChI InChI=1S/C22H33N5O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay 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...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50077147 (CHEMBL3416846) Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 |r| Show InChI InChI=1S/C22H33N5O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingo...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514473 (CHEMBL4453931) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H19F6N5O2.ClH/c23-21(24,25)14-6-3-12(4-7-14)11-34-17-8-5-13(10-15(17)22(26,27)28)18-31-19(35-32-18)16-2-1-9-33(16)20(29)30;/h3-8,10,16H,1-2,9,11H2,(H3,29,30);1H/t16-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508 BindingDB Entry DOI: 10.7270/Q2WH2T9K
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514473 (CHEMBL4453931) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H19F6N5O2.ClH/c23-21(24,25)14-6-3-12(4-7-14)11-34-17-8-5-13(10-15(17)22(26,27)28)18-31-19(35-32-18)16-2-1-9-33(16)20(29)30;/h3-8,10,16H,1-2,9,11H2,(H3,29,30);1H/t16-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK2 assessed as decrease in [33P]SIP production using sphingosine as substrate in presence of [gamma33P]-ATP by sci...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266426 (CHEMBL4076808) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-4-1-3-15(11-16)19-13-36-23(31-19)30-17-8-6-14(7-9-17)21-32-20(35-33-21)12-18-5-2-10-34(18)22(28)29;/h1,3-4,6-9,11,13,18H,2,5,10,12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266429 (CHEMBL4074731) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C29H27N7OS.ClH/c30-28(31)36-16-4-7-24(36)17-26-34-27(35-37-26)22-12-14-23(15-13-22)32-29-33-25(18-38-29)21-10-8-20(9-11-21)19-5-2-1-3-6-19;/h1-3,5-6,8-15,18,24H,4,7,16-17H2,(H3,30,31)(H,32,33);1H/t24-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174126 (US9688668, 1a) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCCC1C(N)=N Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SLR080811, prepared as the HCl salt, was tested first at recombinant SphK1 and SphK2 using a broken cell assay.				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266426 (CHEMBL4076808) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-4-1-3-15(11-16)19-13-36-23(31-19)30-17-8-6-14(7-9-17)21-32-20(35-33-21)12-18-5-2-10-34(18)22(28)29;/h1,3-4,6-9,11,13,18H,2,5,10,12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343829 ((S)-1-(4-Dodecylbenzoyl)pyrrolidine-2-carboximidam...) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=N |r| Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)24(28)27-19-12-14-22(27)23(25)26/h15-18,22H,2-14,19H2,1H3,(H3,25,26)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay 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...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266428 (CHEMBL4082275) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-16-9-14(8-15(10-16)24(26,27)28)19-12-37-23(32-19)31-17-5-3-13(4-6-17)21-33-20(36-34-21)11-18-2-1-7-35(18)22(29)30;/h3-6,8-10,12,18H,1-2,7,11H2,(H3,29,30)(H,31,32);1H/t18-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266427 (CHEMBL4071762) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-18-8-5-14(10-17(18)24(26,27)28)19-12-37-23(32-19)31-15-6-3-13(4-7-15)21-33-20(36-34-21)11-16-2-1-9-35(16)22(29)30;/h3-8,10,12,16H,1-2,9,11H2,(H3,29,30)(H,31,32);1H/t16-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514475 (CHEMBL4456325) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)c(c1)C1CC1 |r| Show InChI InChI=1S/C24H24F3N5O2.ClH/c25-24(26,27)17-8-3-14(4-9-17)13-33-20-10-7-16(12-18(20)15-5-6-15)21-30-22(34-31-21)19-2-1-11-32(19)23(28)29;/h3-4,7-10,12,15,19H,1-2,5-6,11,13H2,(H3,28,29);1H/t19-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508 BindingDB Entry DOI: 10.7270/Q2WH2T9K
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514477 (CHEMBL4593983) Show SMILES Cl.CC(C)c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C24H26F3N5O2.ClH/c1-14(2)18-12-16(21-30-22(34-31-21)19-4-3-11-32(19)23(28)29)7-10-20(18)33-13-15-5-8-17(9-6-15)24(25,26)27;/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H3,28,29);1H/t19-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508 BindingDB Entry DOI: 10.7270/Q2WH2T9K
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514478 (CHEMBL4570134) Show SMILES Cl.CC(C)(C)c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C25H28F3N5O2.ClH/c1-24(2,3)18-13-16(21-31-22(35-32-21)19-5-4-12-33(19)23(29)30)8-11-20(18)34-14-15-6-9-17(10-7-15)25(26,27)28;/h6-11,13,19H,4-5,12,14H2,1-3H3,(H3,29,30);1H/t19-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508 BindingDB Entry DOI: 10.7270/Q2WH2T9K
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514474 (CHEMBL4462152) Show SMILES Cl.CCCc1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C24H26F3N5O2.ClH/c1-2-4-16-13-17(21-30-22(34-31-21)19-5-3-12-32(19)23(28)29)8-11-20(16)33-14-15-6-9-18(10-7-15)24(25,26)27;/h6-11,13,19H,2-5,12,14H2,1H3,(H3,28,29);1H/t19-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508 BindingDB Entry DOI: 10.7270/Q2WH2T9K
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266436 (CHEMBL4093841) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(OC(F)(F)F)cc3)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7O2S.ClH/c25-24(26,27)35-18-9-5-14(6-10-18)19-13-37-23(31-19)30-16-7-3-15(4-8-16)21-32-20(36-33-21)12-17-2-1-11-34(17)22(28)29;/h3-10,13,17H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t17-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266447 (CHEMBL4062916) Show SMILES CC(=O)N(C1CCCCC1)C1C(Cl)C(=O)c2ccccc2C1=O Show InChI InChI=1S/C18H20ClNO3/c1-11(21)20(12-7-3-2-4-8-12)16-15(19)17(22)13-9-5-6-10-14(13)18(16)23/h5-6,9-10,12,15-16H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate by ADP-Quest assay				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50514480 (CHEMBL4466524) Show SMILES Cl.CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C22H30F3N5O2.ClH/c1-2-3-4-5-6-7-13-31-18-11-10-15(14-16(18)22(23,24)25)19-28-20(32-29-19)17-9-8-12-30(17)21(26)27;/h10-11,14,17H,2-9,12-13H2,1H3,(H3,26,27);1H/t17-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of ...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508 BindingDB Entry DOI: 10.7270/Q2WH2T9K
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266425 (CHEMBL4076479) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-7-3-14(4-8-16)19-13-36-23(31-19)30-17-9-5-15(6-10-17)21-32-20(35-33-21)12-18-2-1-11-34(18)22(28)29;/h3-10,13,18H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50514480 (CHEMBL4466524) Show SMILES Cl.CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C22H30F3N5O2.ClH/c1-2-3-4-5-6-7-13-31-18-11-10-15(14-16(18)22(23,24)25)19-28-20(32-29-19)17-9-8-12-30(17)21(26)27;/h10-11,14,17H,2-9,12-13H2,1H3,(H3,26,27);1H/t17-;/m0./s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant mouse SphK2 expressed in baculovirus infected Sf9 insect cells using D-erythro-sphingosine as substrate measured after 30 m...				J Med Chem 63: 1178-1198 (2020) Article DOI: 10.1021/acs.jmedchem.9b01508 BindingDB Entry DOI: 10.7270/Q2WH2T9K
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Mus musculus)	BDBM50266437 (CHEMBL4092871) Show SMILES [H][C@@]1(CCCN1C(N)=N)c1nc(no1)-c1ccc(OCCCCCCCC)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H30F3N5O2/c1-2-3-4-5-6-7-13-31-18-11-10-15(14-16(18)22(23,24)25)19-28-20(32-29-19)17-9-8-12-30(17)21(26)27/h10-11,14,17H,2-9,12-13H2,1H3,(H3,26,27)/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant mouse SPHK1 using sphingosine as substrate in presence ATP				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50552501 (CHEMBL4799862) Show SMILES Cl.CCCCCCCCOc1ccc(COc2ccc(cc2C(F)(F)F)-c2noc(n2)[C@@H]2CCCN2C(N)=N)cc1 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK2 assessed as decrease in [33P]SIP production using sphingosine as substrate in presence of [gamma33P]-ATP by sci...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50552497 (CHEMBL4763909) Show SMILES Cl.CCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	679	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingo...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266427 (CHEMBL4071762) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-18-8-5-14(10-17(18)24(26,27)28)19-12-37-23(32-19)31-15-6-3-13(4-7-15)21-33-20(36-34-21)11-16-2-1-9-35(16)22(29)30;/h3-8,10,12,16H,1-2,9,11H2,(H3,29,30)(H,31,32);1H/t16-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266446 (CHEMBL4074878) Show SMILES [H][C@@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc2cc(OCCCCC)ccc2c1 |r| Show InChI InChI=1S/C22H27N5O3/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50177007 (CHEMBL3814505) Show SMILES Cl.CCCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1[C@@H](O)CCN1C(N)=N |r| Show InChI InChI=1S/C22H27N5O3.ClH/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24;/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24);1H/t18-,19-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK1 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-3...				ACS Med Chem Lett 7: 229-34 (2016) Article DOI: 10.1021/acsmedchemlett.5b00304 BindingDB Entry DOI: 10.7270/Q22B90ZN
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266428 (CHEMBL4082275) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-16-9-14(8-15(10-16)24(26,27)28)19-12-37-23(32-19)31-17-5-3-13(4-6-17)21-33-20(36-34-21)11-18-2-1-7-35(18)22(29)30;/h3-6,8-10,12,18H,1-2,7,11H2,(H3,29,30)(H,31,32);1H/t18-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266425 (CHEMBL4076479) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-7-3-14(4-8-16)19-13-36-23(31-19)30-17-9-5-15(6-10-17)21-32-20(35-33-21)12-18-2-1-11-34(18)22(28)29;/h3-10,13,18H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266446 (CHEMBL4074878) Show SMILES [H][C@@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc2cc(OCCCCC)ccc2c1 |r| Show InChI InChI=1S/C22H27N5O3/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24)/t18-,19+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50177007 (CHEMBL3814505) Show SMILES Cl.CCCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1[C@@H](O)CCN1C(N)=N |r| Show InChI InChI=1S/C22H27N5O3.ClH/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24;/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24);1H/t18-,19-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK2 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-3...				ACS Med Chem Lett 7: 229-34 (2016) Article DOI: 10.1021/acsmedchemlett.5b00304 BindingDB Entry DOI: 10.7270/Q22B90ZN
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50177008 (CHEMBL3814234) Show SMILES Cl.CC(C)COc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1[C@@H](O)CCN1C(N)=N |r| Show InChI InChI=1S/C21H25N5O3.ClH/c1-12(2)11-28-16-6-5-13-9-15(4-3-14(13)10-16)19-24-20(29-25-19)18-17(27)7-8-26(18)21(22)23;/h3-6,9-10,12,17-18,27H,7-8,11H2,1-2H3,(H3,22,23);1H/t17-,18-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK1 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-3...				ACS Med Chem Lett 7: 229-34 (2016) Article DOI: 10.1021/acsmedchemlett.5b00304 BindingDB Entry DOI: 10.7270/Q22B90ZN
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50552497 (CHEMBL4763909) Show SMILES Cl.CCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1 |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	951	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK2 assessed as decrease in [33P]SIP production using sphingosine as substrate in presence of [gamma33P]-ATP by sci...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair

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