Compile Data Set for Download or QSAR

Found 2407 hits with Last Name = 'kennedy' and Initial = 'a'   

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))	BDBM50175282 (CHEMBL3809146) Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O.ClH/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);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50495950 (Danoprevir | R-05190591 | R05190591 | RO-5190591 |...) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:23| Show InChI InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a NS3/4A protease A156T mutant expressed in Escherichia coli BL21 (DE3) cells assessed as substrate cleavag...				J Med Chem 57: 1753-69 (2014) Article DOI: 10.1021/jm400164c BindingDB Entry DOI: 10.7270/Q2T72MD2
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343835 ((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r| Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	47	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175281 (CHEMBL3809554) Show SMILES Cl.CCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C23H34N4O.ClH/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);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241939 (US9421177, VPC143237) Show SMILES N\C(=N/O)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C26H41N3O3/c27-25(28-31)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-32-20-22-11-6-4-7-12-22/h14-17,22,24,31H,1-13,18-20H2,(H2,27,28)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	75	-42.3	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343831 ((S)-1-(4-(7-(Cyclohexylmethoxy)heptyl)benzoyl)pyrr...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C26H41N3O2/c27-25(28)24-13-9-18-29(24)26(30)23-16-14-21(15-17-23)10-5-2-1-3-8-19-31-20-22-11-6-4-7-12-22/h14-17,22,24H,1-13,18-20H2,(H3,27,28)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332925 (3-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylid...) Show SMILES OB(O)c1cccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 Show InChI InChI=1S/C17H13BFNO4S/c19-14-6-4-11(5-7-14)10-20-16(21)15(25-17(20)22)9-12-2-1-3-13(8-12)18(23)24/h1-9,23-24H,10H2/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	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 autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343827 (CHEMBL1774569 | N-(1-Carbamimidoylcyclopropyl)-11-...) Show SMILES NC(=N)C1(CC1)NC(=O)CCCCCCCCCCOCC1CCCCC1 Show InChI InChI=1S/C22H41N3O2/c23-21(24)22(15-16-22)25-20(26)14-10-5-3-1-2-4-6-11-17-27-18-19-12-8-7-9-13-19/h19H,1-18H2,(H3,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343832 ((S)-1-(4-(9-cyclohexylnonyl)benzoyl)pyrrolidine-2-...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C27H43N3O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22/h17-20,22,25H,1-16,21H2,(H3,28,29)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					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))	BDBM241937 (US9421177, VPC96091) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O |r| Show InChI InChI=1S/C24H39N3O2/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)26-29/h15-18,22,29H,2-14,19H2,1H3,(H2,25,26)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	-41.6	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175280 (CHEMBL3809162) Show SMILES Cl.CCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18(16-17)19-25-21(27-26-19)22(14-15-22)20(23)24;/h10,12-13,16H,2-9,11,14-15H2,1H3,(H3,23,24);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343821 (1-Carbamimidoyl-N-(10-(cyclohexylmethoxy)decyl)cyc...) Show SMILES NC(=N)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCCC1 Show InChI InChI=1S/C22H41N3O2/c23-20(24)22(14-15-22)21(26)25-16-10-5-3-1-2-4-6-11-17-27-18-19-12-8-7-9-13-19/h19H,1-18H2,(H3,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241924 (US9421177, VPC143144) Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCCC1 Show InChI InChI=1S/C22H41N3O3/c23-20(25-27)22(14-15-22)21(26)24-16-10-5-3-1-2-4-6-11-17-28-18-19-12-8-7-9-13-19/h19,27H,1-18H2,(H2,23,25)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	-41.3	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343836 ((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)thiazol-2...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(cs1)-c1cccc(CCC2CCCCC2)c1 |r| Show InChI InChI=1S/C29H34N4OS/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	110	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					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
University of Virginia Curated by ChEMBL					Assay Description Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343823 (CHEMBL1774565 | N-(1-Carbamimidoylcyclopropyl)-4-(...) Show SMILES NC(=N)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C25H39N3O2/c26-24(27)25(16-17-25)28-23(29)22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21/h12-15,21H,1-11,16-19H2,(H3,26,27)(H,28,29)	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
University of Virginia Curated by ChEMBL					Assay Description Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343833 ((S)-1-(11-(Cyclohexylmethoxy)undecanoyl)pyrrolidin...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)CCCCCCCCCCOCC1CCCCC1 |r| Show InChI InChI=1S/C23H43N3O2/c24-23(25)21-15-12-17-26(21)22(27)16-10-5-3-1-2-4-6-11-18-28-19-20-13-8-7-9-14-20/h20-21H,1-19H2,(H3,24,25)/t21-/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
University of Virginia Curated by ChEMBL					Assay Description Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241927 (US9421177, VPC14a1051) Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C25H39N3O3/c26-24(28-30)25(16-17-25)27-23(29)22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	-40.9	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343824 (CHEMBL1774566 | N-(1-Carbamimidoylcyclopropyl)-4-(...) Show SMILES NC(=N)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCC2)cc1 Show InChI InChI=1S/C24H37N3O2/c25-23(26)24(15-16-24)27-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-29-18-20-9-5-6-10-20/h11-14,20H,1-10,15-18H2,(H3,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241926 (US9421177, VPC143154) Show SMILES N\C(=N/O)C1(CC1)NC(=O)c1ccc(CCCCCCCOCC2CCCC2)cc1 Show InChI InChI=1S/C24H37N3O3/c25-23(27-29)24(15-16-24)26-22(28)21-13-11-19(12-14-21)8-4-2-1-3-7-17-30-18-20-9-5-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	170	-40.2	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332926 (3-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylid...) Show SMILES OC(=O)c1cccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 Show InChI InChI=1S/C18H12FNO4S/c19-14-6-4-11(5-7-14)10-20-16(21)15(25-18(20)24)9-12-2-1-3-13(8-12)17(22)23/h1-9H,10H2,(H,22,23)/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	187	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 autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241906 (US9421177, VPC96047) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)25-23(17-18-23)22(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	-39.8	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175287 (CHEMBL3810270) Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1nnc(o1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O.ClH/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);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343818 (1-Carbamimidoyl-N-(4-(7-(cyclohexylmethoxy)heptyl)...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C25H39N3O2/c26-23(27)25(16-17-25)24(29)28-22-14-12-20(13-15-22)9-5-2-1-3-8-18-30-19-21-10-6-4-7-11-21/h12-15,21H,1-11,16-19H2,(H3,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241922 (US9421177, VPC143105) Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C25H39N3O3/c26-23(28-30)25(16-17-25)24(29)27-22-14-12-20(13-15-22)9-5-2-1-3-8-18-31-19-21-10-6-4-7-11-21/h12-15,21,30H,1-11,16-19H2,(H2,26,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	240	-39.3	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175276 (CHEMBL3809326) Show SMILES Cl.CCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C23H34N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)20-26-22(28-27-20)23(16-17-23)21(24)25;/h12-15H,2-11,16-17H2,1H3,(H3,24,25);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241915 (US9421177, VPC143064) Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1 Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)25-22(27)23(17-18-23)21(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	300	-38.7	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241936 (US9421177, VPC96077) Show SMILES CCCCCCCCCCCc1ccc(cc1)C(=O)N1CCC[C@H]1\C(N)=N\O |r| Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-12-19-14-16-20(17-15-19)23(27)26-18-11-13-21(26)22(24)25-28/h14-17,21,28H,2-13,18H2,1H3,(H2,24,25)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	300	-38.7	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175277 (CHEMBL3809675) Show SMILES Cl.CCCCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21-27-23(29-28-21)24(17-18-24)22(25)26;/h13-16H,2-12,17-18H2,1H3,(H3,25,26);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	320	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332927 (4-tetradecanamidobenzylphosphonic acid | CHEMBL163...) Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C21H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	367	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 autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343817 (1-Carbamimidoyl-N-(4-(6-(cyclohexylmethoxy)hexyl)p...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C24H37N3O2/c25-22(26)24(15-16-24)23(28)27-21-13-11-19(12-14-21)8-4-1-2-7-17-29-18-20-9-5-3-6-10-20/h11-14,20H,1-10,15-18H2,(H3,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241921 (US9421177, VPC143113) Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C24H37N3O3/c25-22(27-29)24(15-16-24)23(28)26-21-13-11-19(12-14-21)8-4-1-2-7-17-30-18-20-9-5-3-6-10-20/h11-14,20,29H,1-10,15-18H2,(H2,25,27)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	390	-38.1	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241914 (US9421177, VPC143081) Show SMILES CCCCCCCCCCCc1ccc(NC(=O)C2(CC2)C(\N)=N\O)cc1 Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)24-21(26)22(16-17-22)20(23)25-27/h12-15,27H,2-11,16-17H2,1H3,(H2,23,25)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	400	-38.0	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175285 (CHEMBL3809605) Show SMILES Cl.CCCCCCCCCCCCc1cccc(c1)-c1nc(no1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-13-19-14-12-15-20(18-19)21-27-23(28-29-21)24(16-17-24)22(25)26;/h12,14-15,18H,2-11,13,16-17H2,1H3,(H3,25,26);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175275 (CHEMBL3809598) Show SMILES Cl.CCCCCCCCCCc1ccc(cc1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19-25-21(27-26-19)22(15-16-22)20(23)24;/h11-14H,2-10,15-16H2,1H3,(H3,23,24);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343822 (1-carbamimidoyl-N-(10-(cyclopentylmethoxy)decyl)cy...) Show SMILES NC(=N)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1 Show InChI InChI=1S/C21H39N3O2/c22-19(23)21(13-14-21)20(25)24-15-9-5-3-1-2-4-6-10-16-26-17-18-11-7-8-12-18/h18H,1-17H2,(H3,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241925 (US9421177, VPC14a1058) Show SMILES N\C(=N/O)C1(CC1)C(=O)NCCCCCCCCCCOCC1CCCC1 Show InChI InChI=1S/C21H39N3O3/c22-19(24-26)21(13-14-21)20(25)23-15-9-5-3-1-2-4-6-10-16-27-17-18-11-7-8-12-18/h18,26H,1-17H2,(H2,22,24)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	450	-37.7	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241919 (US9421177, VPC143129) Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C26H35N3O2/c27-24(29-31)26(19-20-26)25(30)28-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18,31H,1-5,7-8,11,14,19-20H2,(H2,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	-37.4	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343815 (1-Carbamimidoyl-N-(4-(9-phenylnonyl)phenyl)cyclopr...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C26H35N3O/c27-24(28)26(19-20-26)25(30)29-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18H,1-5,7-8,11,14,19-20H2,(H3,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM241906 (US9421177, VPC96047) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(\N)=N\O Show InChI InChI=1S/C23H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)25-23(17-18-23)22(24)26-28/h13-16,28H,2-12,17-18H2,1H3,(H2,24,26)(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	-37.4	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241932 (US9421177, VPC95291) Show SMILES CCCCCCCCCCCCCCCC(=O)NC1(CC1)C(\N)=N\O Show InChI InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)22-20(16-17-20)19(21)23-25/h25H,2-17H2,1H3,(H2,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	750	-36.4	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343819 (1-Carbamimidoyl-N-(4-(8-(cyclohexylmethoxy)octyl)p...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C26H41N3O2/c27-24(28)26(17-18-26)25(30)29-23-15-13-21(14-16-23)10-6-3-1-2-4-9-19-31-20-22-11-7-5-8-12-22/h13-16,22H,1-12,17-20H2,(H3,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM241923 (US9421177, VPC143126) Show SMILES N\C(=N/O)C1(CC1)C(=O)Nc1ccc(CCCCCCCCOCC2CCCCC2)cc1 Show InChI InChI=1S/C26H41N3O3/c27-24(29-31)26(17-18-26)25(30)28-23-15-13-21(14-16-23)10-6-3-1-2-4-9-19-32-20-22-11-7-5-8-12-22/h13-16,22,31H,1-12,17-20H2,(H2,27,29)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	800	-36.2	n/a	n/a	n/a	n/a	n/a	n/a	37
University of Virginia Patent Foundation US Patent					Assay Description Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O'Neill, S. L., Morris, M. A., Set...				US Patent US9421177 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JZ4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50175283 (CHEMBL3809544) Show SMILES Cl.CCCCCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C25H38N4O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-20-15-13-16-21(19-20)22-28-24(30-29-22)25(17-18-25)23(26)27;/h13,15-16,19H,2-12,14,17-18H2,1H3,(H3,26,27);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	980	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 human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332899 (CHEMBL1632521 | CHEMBL1632522 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(39)37-31(33(38)26-45(40,41)42)23-29-19-21-30(22-20-29)44-25-32-28(3)35(43-4)27(2)24-36-32/h19-22,24,31,40-42,45H,5-18,23,25-26H2,1-4H3,(H,37,39)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	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 autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					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))	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

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