Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'raje' and Initial = 'mr'   

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 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))	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))	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))	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 1 (Homo sapiens (Human))	BDBM174050 (US9688668, 17) Show SMILES NC(=N)C1(CC1)c1nc(no1)-c1cccc(CCCCCCOCC2CCCCC2)c1 Show InChI InChI=1S/C25H36N4O2/c26-23(27)25(14-15-25)24-28-22(29-31-24)21-13-8-12-19(17-21)9-4-1-2-7-16-30-18-20-10-5-3-6-11-20/h8,12-13,17,20H,1-7,9-11,14-16,18H2,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174114 (US9688668, 64) Show SMILES NC(=N)N1CCCC1.CCCCCCCCc1ccc(cc1)-c1noc(CC)n1 Show InChI InChI=1S/C18H26N2O.C5H11N3/c1-3-5-6-7-8-9-10-15-11-13-16(14-12-15)18-19-17(4-2)21-20-18;6-5(7)8-3-1-2-4-8/h11-14H,3-10H2,1-2H3;1-4H2,(H3,6,7)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174068 (US9688668, 32) Show SMILES NC(=N)C1(CC1)c1nnc(o1)-c1ccc(CCCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C26H38N4O2/c27-24(28)26(16-17-26)25-30-29-23(32-25)22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21H,1-11,16-19H2,(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174067 (US9688668, 31) Show SMILES NC(=N)C1(CC1)c1nnc(o1)-c1cccc(CCCCCCOCC2CCCCC2)c1 Show InChI InChI=1S/C25H36N4O2/c26-23(27)25(14-15-25)24-29-28-22(31-24)21-13-8-12-19(17-21)9-4-1-2-7-16-30-18-20-10-5-3-6-11-20/h8,12-13,17,20H,1-7,9-11,14-16,18H2,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174066 (US9688668, 30) Show SMILES CCCCCCCCCCCCc1cccc(c1)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-28-23(29-21)24(16-17-24)22(25)26/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174065 (US9688668, 29) Show SMILES CCCCCCCCCCCc1cc(ccc1F)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C23H33FN4O/c1-2-3-4-5-6-7-8-9-10-11-17-16-18(12-13-19(17)24)20-27-28-22(29-20)23(14-15-23)21(25)26/h12-13,16H,2-11,14-15H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174064 (US9688668, 28) Show SMILES CCCCCCCCCCCc1cc(ccc1C)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O/c1-3-4-5-6-7-8-9-10-11-12-19-17-20(14-13-18(19)2)21-27-28-23(29-21)24(15-16-24)22(25)26/h13-14,17H,3-12,15-16H2,1-2H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174063 (US9688668, 27) Show SMILES CCCCCCCCCCCc1cc(ccc1OC)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O2/c1-3-4-5-6-7-8-9-10-11-12-18-17-19(13-14-20(18)29-2)21-27-28-23(30-21)24(15-16-24)22(25)26/h13-14,17H,3-12,15-16H2,1-2H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174061 (US9688668, 26) Show SMILES CCCCCCCCCCCc1cccc(c1)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C23H34N4O/c1-2-3-4-5-6-7-8-9-10-12-18-13-11-14-19(17-18)20-26-27-22(28-20)23(15-16-23)21(24)25/h11,13-14,17H,2-10,12,15-16H2,1H3,(H3,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174060 (US9688668, 25) Show SMILES CCCCCCCCCCCc1ccc(F)c(c1)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C23H33FN4O/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-19(24)18(16-17)20-27-28-22(29-20)23(14-15-23)21(25)26/h12-13,16H,2-11,14-15H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174059 (US9688668, 24) Show SMILES CCCCCCCCCCCc1ccc(OC)c(c1)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O2/c1-3-4-5-6-7-8-9-10-11-12-18-13-14-20(29-2)19(17-18)21-27-28-23(30-21)24(15-16-24)22(25)26/h13-14,17H,3-12,15-16H2,1-2H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174056 (US9688668, 23) Show SMILES CCCCCCCCCCCc1ccc(C)c(c1)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O/c1-3-4-5-6-7-8-9-10-11-12-19-14-13-18(2)20(17-19)21-27-28-23(29-21)24(15-16-24)22(25)26/h13-14,17H,3-12,15-16H2,1-2H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174055 (US9688668, 22) Show SMILES CCCCCCCCCCCc1cc(-c2nnc(o2)C2(CC2)C(N)=N)c(OC)cc1OC Show InChI InChI=1S/C25H38N4O3/c1-4-5-6-7-8-9-10-11-12-13-18-16-19(21(31-3)17-20(18)30-2)22-28-29-24(32-22)25(14-15-25)23(26)27/h16-17H,4-15H2,1-3H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174054 (US9688668, 21) Show SMILES CCCCCCCCCCCc1cccc(c1)-c1nc(n[nH]1)C1(CC1)C(N)=N Show InChI InChI=1S/C23H35N5/c1-2-3-4-5-6-7-8-9-10-12-18-13-11-14-19(17-18)20-26-22(28-27-20)23(15-16-23)21(24)25/h11,13-14,17H,2-10,12,15-16H2,1H3,(H3,24,25)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174044 (US9688668, 13) Show SMILES NC(=N)C1(CC1)c1nc(no1)-c1cccc(CCc2cccc(CCC3CCCCC3)c2)c1 Show InChI InChI=1S/C28H34N4O/c29-26(30)28(16-17-28)27-31-25(32-33-27)24-11-5-10-23(19-24)15-14-22-9-4-8-21(18-22)13-12-20-6-2-1-3-7-20/h4-5,8-11,18-20H,1-3,6-7,12-17H2,(H3,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174046 (US9688668, 14) Show SMILES CCCCCCCCCCCc1cc(ccc1CO)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O2/c1-2-3-4-5-6-7-8-9-10-11-18-16-19(12-13-20(18)17-29)21-27-23(30-28-21)24(14-15-24)22(25)26/h12-13,16,29H,2-11,14-15,17H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174047 (US9688668, 15) Show SMILES CCCCCCCCCCCc1cc(ccc1C)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O/c1-3-4-5-6-7-8-9-10-11-12-19-17-20(14-13-18(19)2)21-27-23(29-28-21)24(15-16-24)22(25)26/h13-14,17H,3-12,15-16H2,1-2H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174049 (US9688668, 16) Show SMILES CCCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(29-28-21)24(16-17-24)22(25)26/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174053 (US9688668, 20) Show SMILES CCCCCCCCCCCCc1cccc(c1)-c1coc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C25H37N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-12-15-21(18-20)22-19-29-24(28-22)25(16-17-25)23(26)27/h12,14-15,18-19H,2-11,13,16-17H2,1H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50077146 (CHEMBL3416840) Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1nc(no1)[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)20-24-19(25-27-20)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	Article PubMed	1.10E+3	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 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...				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))	BDBM50077143 (CHEMBL3416833) Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCN1C(N)=N |r| Show InChI InChI=1S/C20H29N5O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-23-19(26-24-18)17-13-14-25(17)20(21)22/h9-12,17H,2-8,13-14H2,1H3,(H3,21,22)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	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 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...				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))	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	US Patent	1.30E+3	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 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
Virginia Tech Curated by ChEMBL					Assay 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...				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))	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	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	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 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...				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))	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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.50E+3	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 2 (Homo sapiens (Human))	BDBM50077145 (CHEMBL3416836) Show SMILES Cl.[H][C@]1(C[C@@H](O)CN1C(N)=N)c1nc(no1)-c1ccc(CCCCCCCC)cc1 |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	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 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...				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))	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
Virginia Tech Curated by ChEMBL					Assay 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...				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))	BDBM50393644 (CHEMBL2158697) Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:20.20,wD:23.27,(-17.8,-51.88,;-17.06,-50.54,;-15.52,-50.52,;-14.76,-49.17,;-13.22,-49.15,;-12.47,-47.81,;-10.92,-47.79,;-10.17,-46.45,;-8.63,-46.43,;-7.88,-45.08,;-6.34,-45.06,;-5.59,-43.72,;-4.05,-43.7,;-3.29,-42.36,;-1.75,-42.34,;-1,-40.99,;.54,-40.97,;1.33,-42.28,;.58,-43.64,;-.97,-43.66,;2.87,-42.26,;3.61,-40.91,;5.15,-40.89,;5.94,-42.21,;5.19,-43.56,;3.66,-43.58,;7.48,-42.19,;8.81,-41.41,;7.08,-40.69,;8.27,-43.51,;9.81,-43.49,;10.6,-44.82,)| Show InChI InChI=1S/C31H56N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-28-19-21-29(22-20-28)30-23-25-31(26-24-30)32(3,4)27-6-2/h19-22,30-31H,5-18,23-27H2,1-4H3/q+1/t30-,31-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	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 SphK2 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine as substrate and [32gammaP]ATP by scintillati...				Bioorg Med Chem Lett 22: 6817-20 (2012) Article DOI: 10.1016/j.bmcl.2012.01.050 BindingDB Entry DOI: 10.7270/Q22Z16MT
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50359976 (CHEMBL1927588) Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)C |r,wU:14.14,wD:17.21,(-6.9,-36.2,;-5.57,-36.97,;-5.57,-38.51,;-4.24,-39.28,;-4.24,-40.82,;-2.91,-41.59,;-2.91,-43.13,;-1.57,-43.89,;-.24,-43.13,;1.09,-43.89,;2.43,-43.13,;2.43,-41.59,;1.09,-40.82,;-.24,-41.59,;3.75,-40.82,;3.75,-39.28,;5.09,-38.51,;6.42,-39.28,;6.42,-40.82,;5.09,-41.59,;7.75,-38.51,;9.08,-39.28,;7.75,-36.97,;9.07,-37.73,)| Show InChI InChI=1S/C23H40N/c1-5-6-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(2,3)4/h12-15,22-23H,5-11,16-19H2,1-4H3/q+1/t22-,23-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	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 mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay				Bioorg Med Chem 20: 183-94 (2011) Article DOI: 10.1016/j.bmc.2011.11.011 BindingDB Entry DOI: 10.7270/Q2280826
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393645 (CHEMBL2158696) Show SMILES CCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:18.18,wD:21.25,(15.17,-38.8,;15.92,-37.46,;17.46,-37.44,;18.21,-36.1,;19.75,-36.08,;20.5,-34.73,;22.04,-34.71,;22.8,-33.37,;24.34,-33.35,;25.09,-32.01,;26.63,-31.99,;27.38,-30.64,;28.92,-30.62,;29.68,-29.28,;31.21,-29.25,;32.01,-30.57,;31.25,-31.93,;29.71,-31.95,;33.54,-30.54,;34.28,-29.19,;35.83,-29.17,;36.62,-30.5,;35.87,-31.84,;34.33,-31.86,;38.16,-30.48,;39.49,-29.7,;37.75,-28.98,;38.95,-31.8,;40.49,-31.78,;41.28,-33.1,)| Show InChI InChI=1S/C29H52N/c1-5-7-8-9-10-11-12-13-14-15-16-26-17-19-27(20-18-26)28-21-23-29(24-22-28)30(3,4)25-6-2/h17-20,28-29H,5-16,21-25H2,1-4H3/q+1/t28-,29-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	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 SphK2 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine as substrate and [32gammaP]ATP by scintillati...				Bioorg Med Chem Lett 22: 6817-20 (2012) Article DOI: 10.1016/j.bmcl.2012.01.050 BindingDB Entry DOI: 10.7270/Q22Z16MT
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50359977 (CHEMBL1927590) Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:14.14,wD:17.21,(13.28,-44.88,;11.94,-45.65,;10.61,-44.88,;9.28,-45.65,;7.95,-44.88,;6.62,-45.65,;5.29,-44.88,;3.95,-45.65,;2.62,-44.88,;2.62,-43.35,;1.29,-42.58,;-.04,-43.35,;-.04,-44.88,;1.29,-45.65,;-1.37,-42.58,;-2.7,-43.35,;-4.04,-42.58,;-4.04,-41.04,;-2.7,-40.27,;-1.37,-41.04,;-5.37,-40.27,;-5.37,-38.73,;-6.7,-41.04,;-6.71,-39.49,;-6.71,-37.96,;-8.04,-37.19,)| Show InChI InChI=1S/C25H44N/c1-5-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(3,4)21-6-2/h13-16,24-25H,5-12,17-21H2,1-4H3/q+1/t24-,25-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	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 mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay				Bioorg Med Chem 20: 183-94 (2011) Article DOI: 10.1016/j.bmc.2011.11.011 BindingDB Entry DOI: 10.7270/Q2280826
					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
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK2 using NBD-sphingosine as substrate after 2 hrs by HPLC analysis				Bioorg Med Chem Lett 22: 6817-20 (2012) Article DOI: 10.1016/j.bmcl.2012.01.050 BindingDB Entry DOI: 10.7270/Q22Z16MT
					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
Virginia Tech Curated by ChEMBL					Assay 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...				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))	BDBM174084 (US9688668, 45) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(CN(C)C(N)=N)n1 Show InChI InChI=1S/C19H29N5O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)18-22-17(25-23-18)14-24(2)19(20)21/h10-13H,3-9,14H2,1-2H3,(H3,20,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM174085 (US9688668, 46) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(CNC(N)=N)n1 Show InChI InChI=1S/C18H27N5O/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)17-22-16(24-23-17)13-21-18(19)20/h9-12H,2-8,13H2,1H3,(H4,19,20,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					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	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50139650 (CHEMBL3546834 | US9688668, 50) 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-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50139650 (CHEMBL3546834 | US9688668, 50) 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-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174094 (US9688668, 51) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1C[C@@H](O)CN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174097 (US9688668, 53) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@H]1C[C@H](O)CN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM174097 (US9688668, 53) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@H]1C[C@H](O)CN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)19-24-20(28-25-19)18-13-17(27)14-26(18)21(22)23/h9-12,17-18,27H,2-8,13-14H2,1H3,(H3,22,23)/t17-,18+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174098 ((S)-2-(3-(4-decylphenyl)-1,2,4-oxadiazol- 5-yl)pyr...) Show SMILES CCCCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C23H35N5O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-26-22(29-27-21)20-12-10-17-28(20)23(24)25/h13-16,20H,2-12,17H2,1H3,(H3,24,25)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					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	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174105 (US9688668, 57) Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C27H43N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-17-19-23(20-18-22)25-30-26(33-31-25)24-16-14-21-32(24)27(28)29/h17-20,24H,2-16,21H2,1H3,(H3,28,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM174106 (US9688668, 58) Show SMILES CCCCCCCCc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-10-16-11-8-12-17(15-16)19-24-20(27-25-19)18-13-9-14-26(18)21(22)23/h8,11-12,15,18H,2-7,9-10,13-14H2,1H3,(H3,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM174106 (US9688668, 58) Show SMILES CCCCCCCCc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-10-16-11-8-12-17(15-16)19-24-20(27-25-19)18-13-9-14-26(18)21(22)23/h8,11-12,15,18H,2-7,9-10,13-14H2,1H3,(H3,22,23)/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	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 SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
					More data for this Ligand-Target Pair

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