BDBM50494325 CHEMBL1999116

SMILES: CC(C)Cc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1

InChI Key: InChIKey=XBSYYNWVLYLNAE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50494325   

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 1 (Homo sapiens (Human))	BDBM50494325 (CHEMBL1999116) Show SMILES CC(C)Cc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C20H32N2O2/c1-15(2)13-18-14-19(21-24-18)20(23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h14-17H,3-13H2,1-2H3	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	6.42E+3	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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50494325 (CHEMBL1999116) Show SMILES CC(C)Cc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C20H32N2O2/c1-15(2)13-18-14-19(21-24-18)20(23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h14-17H,3-13H2,1-2H3	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	1.38E+3	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