Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50438143'   

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))	BDBM50438143 (CHEMBL2409891) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-5-3-17(4-6-18)22-15-33-23(29-22)28-19-7-1-16(2-8-19)9-11-30-12-10-21(32)13-20(30)14-31/h1-8,15,20-21,31-32H,9-14H2,(H,28,29)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human SphK1 using sphingosine as substrate incubated for 50 mins by scintillation counting analysis in presence of [gamma-33P]ATP				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))	BDBM50438143 (CHEMBL2409891) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-5-3-17(4-6-18)22-15-33-23(29-22)28-19-7-1-16(2-8-19)9-11-30-12-10-21(32)13-20(30)14-31/h1-8,15,20-21,31-32H,9-14H2,(H,28,29)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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))	BDBM50438143 (CHEMBL2409891) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-5-3-17(4-6-18)22-15-33-23(29-22)28-19-7-1-16(2-8-19)9-11-30-12-10-21(32)13-20(30)14-31/h1-8,15,20-21,31-32H,9-14H2,(H,28,29)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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 (Mus musculus)	BDBM50438143 (CHEMBL2409891) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-5-3-17(4-6-18)22-15-33-23(29-22)28-19-7-1-16(2-8-19)9-11-30-12-10-21(32)13-20(30)14-31/h1-8,15,20-21,31-32H,9-14H2,(H,28,29)/t20-,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mouse SphK1				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))	BDBM50438143 (CHEMBL2409891) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)18-5-3-17(4-6-18)22-15-33-23(29-22)28-19-7-1-16(2-8-19)9-11-30-12-10-21(32)13-20(30)14-31/h1-8,15,20-21,31-32H,9-14H2,(H,28,29)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of SphK1 in human WM266-4 cells assessed as inhibition of formation of [17C]-S1P formation after 20 mins by LC-MS analysis				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