Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'east' and Initial = 'je'   

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
Lysophosphatidic acid receptor 1/3 (Rattus norvegicus)	BDBM50496697 (CHEMBL3218460) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1)\C=C\P(O)(O)=O |r| Show InChI InChI=1S/C34H50F3N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(40)39-29(21-23-46(41,42)43)24-28-16-18-31(19-17-28)44-26-30-25-32(20-22-38-30)45-27-34(35,36)37/h16-23,25,29H,2-15,24,26-27H2,1H3,(H,39,40)(H2,41,42,43)/b23-21+/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Antagonist activity at LPAR1/LPAR3 in rat glioma C62B cells assessed as inhibition of LPA-induced reduction in isoproterenol-stimulated [3H]cAMP accu...				Medchemcomm 2: 325-330 (2011) Article DOI: 10.1039/c0md00273a BindingDB Entry DOI: 10.7270/Q2FN1943
					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
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50496698 (CHEMBL3218459) Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1 |r| Show InChI InChI=1S/C35H54F3N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(41)40-31(27-47-48(42,43)44)24-29-18-20-32(21-19-29)45-26-30-25-33(22-23-39-30)46-28-35(36,37)38/h18-23,25,31H,2-17,24,26-28H2,1H3,(H,40,41)(H2,42,43,44)/t31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Competitive antagonist activity at N-terminal 3XHA-tagged human LPA3 receptor overexpressed in CHO cells assessed as inhibition of LPA-induced [35S]G...				Medchemcomm 2: 325-330 (2011) Article DOI: 10.1039/c0md00273a BindingDB Entry DOI: 10.7270/Q2FN1943
					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
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50496698 (CHEMBL3218459) Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1 |r| Show InChI InChI=1S/C35H54F3N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(41)40-31(27-47-48(42,43)44)24-29-18-20-32(21-19-29)45-26-30-25-33(22-23-39-30)46-28-35(36,37)38/h18-23,25,31H,2-17,24,26-28H2,1H3,(H,40,41)(H2,42,43,44)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Competitive antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as inhibition of LPA-induced [35S]GTPgammaS binding by liq...				Medchemcomm 2: 325-330 (2011) Article DOI: 10.1039/c0md00273a BindingDB Entry DOI: 10.7270/Q2FN1943
					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))	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))	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))	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))	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))	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
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50496697 (CHEMBL3218460) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1)\C=C\P(O)(O)=O |r| Show InChI InChI=1S/C34H50F3N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(40)39-29(21-23-46(41,42)43)24-28-16-18-31(19-17-28)44-26-30-25-32(20-22-38-30)45-27-34(35,36)37/h16-23,25,29H,2-15,24,26-27H2,1H3,(H,39,40)(H2,41,42,43)/b23-21+/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Competitive antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as inhibition of LPA-induced [35S]GTPgammaS binding by liq...				Medchemcomm 2: 325-330 (2011) Article DOI: 10.1039/c0md00273a BindingDB Entry DOI: 10.7270/Q2FN1943
					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
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))	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
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))	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))	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
Lysophosphatidic acid receptor 3 (Homo sapiens (Human))	BDBM50496697 (CHEMBL3218460) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1)\C=C\P(O)(O)=O |r| Show InChI InChI=1S/C34H50F3N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(40)39-29(21-23-46(41,42)43)24-28-16-18-31(19-17-28)44-26-30-25-32(20-22-38-30)45-27-34(35,36)37/h16-23,25,29H,2-15,24,26-27H2,1H3,(H,39,40)(H2,41,42,43)/b23-21+/t29-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	512	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Competitive antagonist activity at N-terminal 3XHA-tagged human LPA3 receptor overexpressed in CHO cells assessed as inhibition of LPA-induced [35S]G...				Medchemcomm 2: 325-330 (2011) Article DOI: 10.1039/c0md00273a BindingDB Entry DOI: 10.7270/Q2FN1943
					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
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))	BDBM50343816 (1-carbamimidoyl-N-(4-(8-phenyloctyl)phenyl)cyclopr...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C25H33N3O/c26-23(27)25(18-19-25)24(29)28-22-16-14-21(15-17-22)13-7-4-2-1-3-6-10-20-11-8-5-9-12-20/h5,8-9,11-12,14-17H,1-4,6-7,10,13,18-19H2,(H3,26,27)(H,28,29)	PDB 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
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))	BDBM50343825 (4-(7-Butoxyheptyl)-N-(1-carbamimidoylcyclopropyl)b...) Show SMILES CCCCOCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N Show InChI InChI=1S/C22H35N3O2/c1-2-3-16-27-17-8-6-4-5-7-9-18-10-12-19(13-11-18)20(26)25-22(14-15-22)21(23)24/h10-13H,2-9,14-17H2,1H3,(H3,23,24)(H,25,26)	PDB 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
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))	BDBM50299323 ((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r| Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+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 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))	BDBM50299323 ((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r| Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+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 SPHK1				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))	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 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
University of Virginia Curated by ChEMBL					Assay Description Inhibition of mouse recombinant SPHK2 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))	BDBM50332905 (CHEMBL1632527 | CHEMBL1632528 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H53N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)35-31(32(36)26-43(38,39)40)23-27-17-19-29(20-18-27)42-25-28-24-30(41-2)21-22-34-28/h17-22,24,31,38-40,43H,3-16,23,25-26H2,1-2H3,(H,35,37)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
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))	BDBM50343820 (CHEMBL1774562 | N-(4-(7-((Adamantan-1-ylmethoxy)he...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C29H43N3O2/c30-26(31)29(11-12-29)27(33)32-25-9-7-21(8-10-25)6-4-2-1-3-5-13-34-20-28-17-22-14-23(18-28)16-24(15-22)19-28/h7-10,22-24H,1-6,11-20H2,(H3,30,31)(H,32,33)	PDB 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
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))	BDBM50332919 (CHEMBL1629746 | CHEMBL1632616 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)c(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)37-33(34(38)27-45(40,41)42)25-30-19-21-32(22-20-30)44-26-31-23-28(2)36(43-4)29(3)24-31/h19-24,33,40-42,45H,5-18,25-27H2,1-4H3,(H,37,39)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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))	BDBM50343828 (CHEMBL1774570 | N-(1-Carbamimidoylcyclobutyl)-4-do...) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CCC1)C(N)=N Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)22(28)27-24(23(25)26)18-12-19-24/h14-17H,2-13,18-19H2,1H3,(H3,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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 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))	BDBM50332915 (CHEMBL1632612 | CHEMBL1632613 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-33(34(37)27-43(39,40)41)25-30-19-22-32(23-20-30)42-26-31-21-18-28(2)24-29(31)3/h18-24,33,39-41,43H,4-17,25-27H2,1-3H3,(H,36,38)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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))	BDBM50343834 ((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)-1H-imida...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(c[nH]1)-c1cccc(CCC2CCCCC2)c1 |r| Show InChI InChI=1S/C29H35N5O/c30-27(31)26-10-5-17-34(26)29(35)23-15-13-22(14-16-23)28-32-19-25(33-28)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)(H,32,33)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+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 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))	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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 mouse recombinant SPHK2 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))	BDBM50332905 (CHEMBL1632527 | CHEMBL1632528 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H53N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)35-31(32(36)26-43(38,39)40)23-27-17-19-29(20-18-27)42-25-28-24-30(41-2)21-22-34-28/h17-22,24,31,38-40,43H,3-16,23,25-26H2,1-2H3,(H,35,37)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+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
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	3.90E+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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332907 (CHEMBL1632529 | CHEMBL1632530 | anti-(3S)-4-(4-((3...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C34H55N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(38)36-31(33(37)26-43(39,40)41)23-29-18-20-30(21-19-29)42-25-32-28(3)22-27(2)24-35-32/h18-22,24,31,39-41,43H,4-17,23,25-26H2,1-3H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+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))	BDBM50343826 (CHEMBL1774568 | N-(1-carbamimidoylcyclopropyl)-4-(...) Show SMILES CCCCCCCCCCCOc1ccc(cc1)C(=O)NC1(CC1)C(N)=N Show InChI InChI=1S/C22H35N3O2/c1-2-3-4-5-6-7-8-9-10-17-27-19-13-11-18(12-14-19)20(26)25-22(15-16-22)21(23)24/h11-14H,2-10,15-17H2,1H3,(H3,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.00E+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 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))	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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+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 mouse recombinant SPHK2 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))	BDBM50332923 (CHEMBL1632619 | CHEMBL1632620 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-32(33(37)27-44(39,40)41)25-29-18-21-31(22-19-29)43-26-30-20-23-34(42-3)28(2)24-30/h18-24,32,39-41,44H,4-17,25-27H2,1-3H3,(H,36,38)/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332903 (CHEMBL1632525 | CHEMBL1632526 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C32H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(36)34-30(31(35)26-41(37,38)39)24-27-19-21-29(22-20-27)40-25-28-17-15-16-23-33-28/h15-17,19-23,30,37-39,41H,2-14,18,24-26H2,1H3,(H,34,36)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+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 2 (Mus musculus (Mouse))	BDBM50343820 (CHEMBL1774562 | N-(4-(7-((Adamantan-1-ylmethoxy)he...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C29H43N3O2/c30-26(31)29(11-12-29)27(33)32-25-9-7-21(8-10-25)6-4-2-1-3-5-13-34-20-28-17-22-14-23(18-28)16-24(15-22)19-28/h7-10,22-24H,1-6,11-20H2,(H3,30,31)(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+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 mouse recombinant SPHK2 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))	BDBM50332909 (CHEMBL1632531 | CHEMBL1632608 | anti-(3S)-4-(4-((4...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OCC)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H59N2O7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-35(40)38-32(34(39)27-46(41,42)43)24-30-20-22-31(23-21-30)45-26-33-29(4)36(44-6-2)28(3)25-37-33/h20-23,25,32,41-43,46H,5-19,24,26-27H2,1-4H3,(H,38,40)/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332915 (CHEMBL1632612 | CHEMBL1632613 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-33(34(37)27-43(39,40)41)25-30-19-22-32(23-20-30)42-26-31-21-18-28(2)24-29(31)3/h18-24,33,39-41,43H,4-17,25-27H2,1-3H3,(H,36,38)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+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))	BDBM50343814 (CHEMBL1774556 | N-(4-(7-(Benzyloxy)heptyl)phenyl)-...) Show SMILES NC(=N)C1(CC1)C(=O)Nc1ccc(CCCCCCCOCc2ccccc2)cc1 Show InChI InChI=1S/C25H33N3O2/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/h4,6-7,10-15H,1-3,5,8-9,16-19H2,(H3,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50343830 ((R)-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-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of mouse recombinant SPHK2 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))	BDBM50343828 (CHEMBL1774570 | N-(1-Carbamimidoylcyclobutyl)-4-do...) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CCC1)C(N)=N Show InChI InChI=1S/C24H39N3O/c1-2-3-4-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)22(28)27-24(23(25)26)18-12-19-24/h14-17H,2-13,18-19H2,1H3,(H3,25,26)(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of mouse recombinant SPHK2 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))	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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+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 mouse recombinant SPHK2 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

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