BDBM50251403 CHEMBL4098301

SMILES: CCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1

InChI Key: InChIKey=JAYOLJZHJSKRPD-AABGKKOBSA-N

Data: 2 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 2 hits for monomerid = 50251403   

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))	BDBM50251403 (CHEMBL4098301) Show SMILES CCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1 |r| Show InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-19-20(22)18(21)15-23-19/h9-12,18-20,22H,2-8,13-15,21H2,1H3/t18-,19+,20+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	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 N-terminal GST-tagged human SphK1 (1 to 384 residues) expressed in baculovirus expression system using sphingosine as subst...				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 types 2 (SphK2) (Homo sapiens (Human))	BDBM50251403 (CHEMBL4098301) Show SMILES CCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1 |r| Show InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-19-20(22)18(21)15-23-19/h9-12,18-20,22H,2-8,13-15,21H2,1H3/t18-,19+,20+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	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 N-terminal GST-tagged human SphK2 (1 to 618 residues) expressed in baculovirus expression system using sphingosine as subst...				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