Compile Data Set for Download or QSAR

Found 689 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1'   

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
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SPHK1 expressed in fall armyworm sf21 cells using sphingosine as substrate after 1 hr by FITC-b...				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of recombinant human C-terminal His-tagged SphK1 expressed in baculovirus infected Sf21 cells using varying concentrations of ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112713 BindingDB Entry DOI: 10.7270/Q27W6GWG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingo...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive-inhibition of recombinant human C-terminal His6-tagged Sphk1 expressed in baculovirus infected Sf21 insect cells using varying levels of ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de San Luis Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged SphK1 using [3H]-sphingosine as substrate after 30 mins by scintillation counting method				Eur J Med Chem 139: 461-481 (2017) Article DOI: 10.1016/j.ejmech.2017.08.017 BindingDB Entry DOI: 10.7270/Q2930WP5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Mus musculus)	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of SphK1 in mouse erythrocytes using sphingosine as substrate by luminescence assay				ACS Med Chem Lett 7: 229-34 (2016) Article DOI: 10.1021/acsmedchemlett.5b00304 BindingDB Entry DOI: 10.7270/Q22B90ZN
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrate				J Med Chem 59: 965-84 (2016) Article DOI: 10.1021/acs.jmedchem.5b01439 BindingDB Entry DOI: 10.7270/Q2WW7KJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of His6 tagged human SphK1 expressed in Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins prior substrate addition b...				ACS Med Chem Lett 5: 1329-33 (2014) Article DOI: 10.1021/ml5004074 BindingDB Entry DOI: 10.7270/Q22B90NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50017018 (CHEMBL3183090) Show SMILES Cc1cc(C[S+]([O-])(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
500 University Drive Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged human recombinant SphK1 expressed in baculovirus-infected Sf9 cells using sphingosine as substrate				J Med Chem 57: 5509-24 (2014) Article DOI: 10.1021/jm4011687 BindingDB Entry DOI: 10.7270/Q2474CF5
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562757 (CHEMBL3814580) Show SMILES Cl.CCCCOc1ccc2cc(ccc2c1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562759 (CHEMBL4783605) Show SMILES Cl.CCCCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562758 (CHEMBL4755938) Show SMILES Cl.CCCCCCCCCCn1cc(-c2noc(n2)[C@@H]2CCCN2C(N)=N)c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562760 (CHEMBL4750447) Show SMILES Cl.CCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50562761 (CHEMBL4782021) Show SMILES Cl.CCCCCCCCCCn1ccc2cc(ccc12)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50177006 (CHEMBL3814849) Show SMILES Cl.NC(=N)N1CCC[C@H]1c1nc(no1)-c1ccc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c1 |r| Show InChI InChI=1S/C25H22F3N5O2.ClH/c26-25(27,28)19-8-3-15(4-9-19)14-34-20-10-7-16-12-18(6-5-17(16)13-20)22-31-23(35-32-22)21-2-1-11-33(21)24(29)30;/h3-10,12-13,21H,1-2,11,14H2,(H3,29,30);1H/t21-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113121 BindingDB Entry DOI: 10.7270/Q2F193FG
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	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	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan. Electronic address: hohno@pharm.kyoto-u.ac.jp. Curated by ChEMBL					Assay Description Inhibition of recombinant human SphK1 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate in presence of [gamma-33P]...				Bioorg Med Chem 25: 3046-3052 (2017) Article DOI: 10.1016/j.bmc.2017.03.059 BindingDB Entry DOI: 10.7270/Q2XD144Z
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50407504 (CHEMBL5275740) Show SMILES Nc1nc(N)c2c(Sc3ccc(cc3)C(F)(F)F)cccc2n1 Show InChI InChI=1S/C15H11F3N4S/c16-15(17,18)8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13(19)22-14(20)21-10/h1-7H,(H4,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat prostatic vas deferens (Alpha-1A adrenergic receptor )				Citation and Details
					More data for this Ligand-Target Pair
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
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))	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
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of SK1 (unknown origin)				J Med Chem 59: 965-84 (2016) Article DOI: 10.1021/acs.jmedchem.5b01439 BindingDB Entry DOI: 10.7270/Q2WW7KJH
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50077147 (CHEMBL3416846) Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 |r| Show InChI InChI=1S/C22H33N5O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liqu...				J Med Chem 58: 1879-99 (2015) Article DOI: 10.1021/jm501760d BindingDB Entry DOI: 10.7270/Q2PK0HV3
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50077147 (CHEMBL3416846) Show SMILES Cl.CCCCCCCCc1ccc(cc1)-c1noc(C[C@@H]2CCCN2C(N)=N)n1 |r| Show InChI InChI=1S/C22H33N5O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)21-25-20(28-26-21)16-19-10-8-15-27(19)22(23)24/h11-14,19H,2-10,15-16H2,1H3,(H3,23,24)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingo...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115941 BindingDB Entry DOI: 10.7270/Q23B63ST
					More data for this Ligand-Target Pair
Sphingosine kinase 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	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					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))	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
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))	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))	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))	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))	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))	BDBM50266426 (CHEMBL4076808) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-4-1-3-15(11-16)19-13-36-23(31-19)30-17-8-6-14(7-9-17)21-32-20(35-33-21)12-18-5-2-10-34(18)22(28)29;/h1,3-4,6-9,11,13,18H,2,5,10,12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	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))	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))	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))	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))	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
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))	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))	BDBM50438113 (CHEMBL1092481) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					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))	BDBM50600 (MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...) Show SMILES CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11| Show InChI InChI=1S/C18H18ClNO3/c1-11(21)20(12-7-3-2-4-8-12)16-15(19)17(22)13-9-5-6-10-14(13)18(16)23/h5-6,9-10,12H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair

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