BDBM50494315 CHEMBL2004782

SMILES: CC1CCCCC1N(C1CCCCC1)C(=O)c1cc(on1)C1CC1

InChI Key: InChIKey=YSOYNKDERAPHBG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50494315   

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 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50494315 (CHEMBL2004782) Show SMILES CC1CCCCC1N(C1CCCCC1)C(=O)c1cc(on1)C1CC1 Show InChI InChI=1S/C20H30N2O2/c1-14-7-5-6-10-18(14)22(16-8-3-2-4-9-16)20(23)17-13-19(24-21-17)15-11-12-15/h13-16,18H,2-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	337	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50494315 (CHEMBL2004782) Show SMILES CC1CCCCC1N(C1CCCCC1)C(=O)c1cc(on1)C1CC1 Show InChI InChI=1S/C20H30N2O2/c1-14-7-5-6-10-18(14)22(16-8-3-2-4-9-16)20(23)17-13-19(24-21-17)15-11-12-15/h13-16,18H,2-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at S1P2 receptor (unknown origin)				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50494315 (CHEMBL2004782) Show SMILES CC1CCCCC1N(C1CCCCC1)C(=O)c1cc(on1)C1CC1 Show InChI InChI=1S/C20H30N2O2/c1-14-7-5-6-10-18(14)22(16-8-3-2-4-9-16)20(23)17-13-19(24-21-17)15-11-12-15/h13-16,18H,2-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at S1P4 receptor (unknown origin)				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50494315 (CHEMBL2004782) Show SMILES CC1CCCCC1N(C1CCCCC1)C(=O)c1cc(on1)C1CC1 Show InChI InChI=1S/C20H30N2O2/c1-14-7-5-6-10-18(14)22(16-8-3-2-4-9-16)20(23)17-13-19(24-21-17)15-11-12-15/h13-16,18H,2-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor (unknown origin)				Bioorg Med Chem Lett 23: 6346-9 (2013) Article DOI: 10.1016/j.bmcl.2013.09.075 BindingDB Entry DOI: 10.7270/Q2668H4K
					More data for this Ligand-Target Pair