BDBM50443389 CHEMBL2376441

SMILES: CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1

InChI Key: InChIKey=JYEXUQKROPHSEF-SFDDJJRUSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50443389   

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))	BDBM50443389 (CHEMBL2376441) Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50443389 (CHEMBL2376441) Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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 (SPHK1) (Homo sapiens (Human))	BDBM50443389 (CHEMBL2376441) Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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 V5-His-tagged human SphK1 using sphingosine as substrate in presence of [gamma-32P]ATP				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
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50443389 (CHEMBL2376441) Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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 SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liq...				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 types 2 (SphK2) (Homo sapiens (Human))	BDBM50443389 (CHEMBL2376441) Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
500 University Drive Curated by ChEMBL					Assay Description Competitive inhibition of V5-His-tagged human SphK2 expressed in HEK293 cells assessed as S1P production using sphingosine and [gamma-32P]ATP as subs...				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