BDBM50158336 2-(4-octylphenethyl)-2-aminopropane-1,3-diol::2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol::2-amino-2-(4-octylphenethyl)propane-1,3-diol::2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol::CHEMBL314854::FINGOLIMOD::FINGOLIMOD HYDROCHLORIDE

SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1

InChI Key: InChIKey=KKGQTZUTZRNORY-UHFFFAOYSA-N

Data: 1 KI  12 IC50  2 Kd  16 EC50

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 31 hits for monomerid = 50158336   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 2 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
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Transient receptor potential cation channel subfamily M member 7 (Mouse)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2A2 (Rat)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2A2 (Rat)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 2A2 (Rat)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ceramide synthase 2 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	604	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine-1-phosphate lyase 1 (Mouse)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ceramide synthase 2 (Human)	BDBM50158336 (FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...) Show SMILES Show InChI	GoogleScholar	UniChem		2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair