Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50299323'   

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))	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
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))	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 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	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of human sphingosine kinase 1 by off chip mobility shift assay				Bioorg Med Chem Lett 19: 6119-21 (2009) Article DOI: 10.1016/j.bmcl.2009.09.022 BindingDB Entry DOI: 10.7270/Q29Z94ZP
					More data for this Ligand-Target Pair