Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50000962   

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 2 (Homo sapiens (Human))	BDBM50266429 (CHEMBL4074731) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C29H27N7OS.ClH/c30-28(31)36-16-4-7-24(36)17-26-34-27(35-37-26)22-12-14-23(15-13-22)32-29-33-25(18-38-29)21-10-8-20(9-11-21)19-5-2-1-3-6-19;/h1-3,5-6,8-15,18,24H,4,7,16-17H2,(H3,30,31)(H,32,33);1H/t24-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266426 (CHEMBL4076808) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-4-1-3-15(11-16)19-13-36-23(31-19)30-17-8-6-14(7-9-17)21-32-20(35-33-21)12-18-5-2-10-34(18)22(28)29;/h1,3-4,6-9,11,13,18H,2,5,10,12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 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 2 (Homo sapiens (Human))	BDBM50266427 (CHEMBL4071762) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-18-8-5-14(10-17(18)24(26,27)28)19-12-37-23(32-19)31-15-6-3-13(4-7-15)21-33-20(36-34-21)11-16-2-1-9-35(16)22(29)30;/h3-8,10,12,16H,1-2,9,11H2,(H3,29,30)(H,31,32);1H/t16-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266428 (CHEMBL4082275) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-16-9-14(8-15(10-16)24(26,27)28)19-12-37-23(32-19)31-17-5-3-13(4-6-17)21-33-20(36-34-21)11-18-2-1-7-35(18)22(29)30;/h3-6,8-10,12,18H,1-2,7,11H2,(H3,29,30)(H,31,32);1H/t18-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266436 (CHEMBL4093841) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(OC(F)(F)F)cc3)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7O2S.ClH/c25-24(26,27)35-18-9-5-14(6-10-18)19-13-37-23(31-19)30-16-7-3-15(4-8-16)21-32-20(36-33-21)12-17-2-1-11-34(17)22(28)29;/h3-10,13,17H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t17-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266447 (CHEMBL4062916) Show SMILES CC(=O)N(C1CCCCC1)C1C(Cl)C(=O)c2ccccc2C1=O Show InChI InChI=1S/C18H20ClNO3/c1-11(21)20(12-7-3-2-4-8-12)16-15(19)17(22)13-9-5-6-10-14(13)18(16)23/h5-6,9-10,12,15-16H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate by ADP-Quest assay				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266425 (CHEMBL4076479) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-7-3-14(4-8-16)19-13-36-23(31-19)30-17-9-5-15(6-10-17)21-32-20(35-33-21)12-18-2-1-11-34(18)22(28)29;/h3-10,13,18H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Mus musculus)	BDBM50266437 (CHEMBL4092871) Show SMILES [H][C@@]1(CCCN1C(N)=N)c1nc(no1)-c1ccc(OCCCCCCCC)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H30F3N5O2/c1-2-3-4-5-6-7-13-31-18-11-10-15(14-16(18)22(23,24)25)19-28-20(32-29-19)17-9-8-12-30(17)21(26)27/h10-11,14,17H,2-9,12-13H2,1H3,(H3,26,27)/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant mouse SPHK1 using sphingosine as substrate in presence ATP				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266427 (CHEMBL4071762) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-18-8-5-14(10-17(18)24(26,27)28)19-12-37-23(32-19)31-15-6-3-13(4-7-15)21-33-20(36-34-21)11-16-2-1-9-35(16)22(29)30;/h3-8,10,12,16H,1-2,9,11H2,(H3,29,30)(H,31,32);1H/t16-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266446 (CHEMBL4074878) Show SMILES [H][C@@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc2cc(OCCCCC)ccc2c1 |r| Show InChI InChI=1S/C22H27N5O3/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266428 (CHEMBL4082275) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H21F4N7OS.ClH/c25-16-9-14(8-15(10-16)24(26,27)28)19-12-37-23(32-19)31-17-5-3-13(4-6-17)21-33-20(36-34-21)11-18-2-1-7-35(18)22(29)30;/h3-6,8-10,12,18H,1-2,7,11H2,(H3,29,30)(H,31,32);1H/t18-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266425 (CHEMBL4076479) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7OS.ClH/c25-24(26,27)16-7-3-14(4-8-16)19-13-36-23(31-19)30-17-9-5-15(6-10-17)21-32-20(35-33-21)12-18-2-1-11-34(18)22(28)29;/h3-10,13,18H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t18-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50266446 (CHEMBL4074878) Show SMILES [H][C@@]1([C@@H](O)CCN1C(N)=N)c1nc(no1)-c1ccc2cc(OCCCCC)ccc2c1 |r| Show InChI InChI=1S/C22H27N5O3/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24)/t18-,19+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50266438 (CHEMBL4095315) Show SMILES [H][C@]1(CCCN1C(N)=N)c1nc(no1)-c1ccc2cc(CCCCCCCC)ccc2c1 |r| Show InChI InChI=1S/C25H33N5O/c1-2-3-4-5-6-7-9-18-11-12-20-17-21(14-13-19(20)16-18)23-28-24(31-29-23)22-10-8-15-30(22)25(26)27/h11-14,16-17,22H,2-10,15H2,1H3,(H3,26,27)/t22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	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 recombinant mouse SPHK2 using sphingosine as substrate in presence ATP				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266436 (CHEMBL4093841) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(OC(F)(F)F)cc3)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C24H22F3N7O2S.ClH/c25-24(26,27)35-18-9-5-14(6-10-18)19-13-37-23(31-19)30-16-7-3-15(4-8-16)21-32-20(36-33-21)12-17-2-1-11-34(17)22(28)29;/h3-10,13,17H,1-2,11-12H2,(H3,28,29)(H,30,31);1H/t17-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50017016 (CHEMBL3287036) Show SMILES CCCCOc1ccc(CC\C=C2/SC(=O)N(CCN)C2=O)cc1 Show InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16/h6-10H,2-5,11-13,19H2,1H3/b16-6-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.90E+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 recombinant human SPHK2 expressed in Escherichia coli using [3-3H]sphingosine as substrate after 30 mins by 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))	BDBM50266429 (CHEMBL4074731) Show SMILES Cl.[H][C@@]1(Cc2nc(no2)-c2ccc(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)cc2)CCCN1C(N)=N |r| Show InChI InChI=1S/C29H27N7OS.ClH/c30-28(31)36-16-4-7-24(36)17-26-34-27(35-37-26)22-12-14-23(15-13-22)32-29-33-25(18-38-29)21-10-8-20(9-11-21)19-5-2-1-3-6-19;/h1-3,5-6,8-15,18,24H,4,7,16-17H2,(H3,30,31)(H,32,33);1H/t24-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.00E+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 recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant human SPHK2 using sphingosine as substrate by ADP-Quest assay				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50266438 (CHEMBL4095315) Show SMILES [H][C@]1(CCCN1C(N)=N)c1nc(no1)-c1ccc2cc(CCCCCCCC)ccc2c1 |r| Show InChI InChI=1S/C25H33N5O/c1-2-3-4-5-6-7-9-18-11-12-20-17-21(14-13-19(20)16-18)23-28-24(31-29-23)22-10-8-15-30(22)25(26)27/h11-14,16-17,22H,2-10,15H2,1H3,(H3,26,27)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	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 in presence ATP				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.60E+4	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 expressed in Escherichia coli using [3-3H]sphingosine as substrate after 30 mins by 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				3D Structure (crystal)
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50266437 (CHEMBL4092871) Show SMILES [H][C@@]1(CCCN1C(N)=N)c1nc(no1)-c1ccc(OCCCCCCCC)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H30F3N5O2/c1-2-3-4-5-6-7-13-31-18-11-10-15(14-16(18)22(23,24)25)19-28-20(32-29-19)17-9-8-12-30(17)21(26)27/h10-11,14,17H,2-9,12-13H2,1H3,(H3,26,27)/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of recombinant mouse SPHK2 using sphingosine as substrate in presence ATP				J Med Chem 60: 3933-3957 (2017) Article DOI: 10.1021/acs.jmedchem.7b00233 BindingDB Entry DOI: 10.7270/Q2DJ5J3Q
					More data for this Ligand-Target Pair