BDBM50240721 (E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol::CHEMBL322333::N,N-Dimethylsphingosine::N,N-dimethylspingosine::dimethylspingosine

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C

InChI Key: InChIKey=YRXOQXUDKDCXME-YIVRLKKSSA-N

Data: 6 KI  10 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50240721   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
500 University Drive Curated by ChEMBL					Assay Description Inhibition of SphK1 (unknown origin)				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 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of EGFP-fused human SPHK1 expressed in CHO cells using D-erythro-sphingosine as substrate by Michaelis-Menten plot				J Med Chem 52: 3618-26 (2009) Article DOI: 10.1021/jm900121d BindingDB Entry DOI: 10.7270/Q2HD7VK1
					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
500 University Drive Curated by ChEMBL					Assay Description Inhibition of SphK2 (unknown origin)				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 types 2 (SphK2) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human cloned SPHK2 expressed in CHO cells using D-erythro-sphingosine as substrate by Michaelis-Menten plot				J Med Chem 52: 3618-26 (2009) Article DOI: 10.1021/jm900121d BindingDB Entry DOI: 10.7270/Q2HD7VK1
					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant SPHK2 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingo...				Bioorg Med Chem 24: 3218-30 (2016) BindingDB Entry DOI: 10.7270/Q2377BN8
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant SPHK1 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingo...				Bioorg Med Chem 24: 3218-30 (2016) BindingDB Entry DOI: 10.7270/Q2377BN8
					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of SphK2				Bioorg Med Chem Lett 19: 3382-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.035 BindingDB Entry DOI: 10.7270/Q2125SQF
					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	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 SphK2 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate after 20 mins in presence ...				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 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...				Bioorg Med Chem 24: 3218-30 (2016) BindingDB Entry DOI: 10.7270/Q2377BN8
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of EGFP-fused human SPHK1 expressed in CHO cells				J Med Chem 52: 3618-26 (2009) Article DOI: 10.1021/jm900121d BindingDB Entry DOI: 10.7270/Q2HD7VK1
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for its inhibitory activity against cholesteryl ester transfer protein (CETP)				Bioorg Med Chem Lett 7: 1481-1482 (1997) Article DOI: 10.1016/S0960-894X(97)00248-5 BindingDB Entry DOI: 10.7270/Q2SX6DR5
					More data for this Ligand-Target Pair
Antrax lethal toxin (Bacillus anthracis)	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...				Antimicrob Agents Chemother 51: 2403-11 (2007) Article DOI: 10.1128/AAC.01184-06 BindingDB Entry DOI: 10.7270/Q2765G7P
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	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 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC method				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 (SPHK1) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of SphK1				Bioorg Med Chem Lett 19: 3382-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.035 BindingDB Entry DOI: 10.7270/Q2125SQF
					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50240721 ((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C |r| Show InChI InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...				Bioorg Med Chem 24: 3218-30 (2016) BindingDB Entry DOI: 10.7270/Q2377BN8
					More data for this Ligand-Target Pair