BDBM50027946 CHEMBL3344427

SMILES: CC1(C)CC(C1)C(=O)N1CCN(CC1)c1noc(n1)-c1cc(F)c(OCCCO)cc1Cl

InChI Key: InChIKey=OKMMRFUDTVMYGN-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 = 50027946   

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))	BDBM50027946 (CHEMBL3344427) Show SMILES CC1(C)CC(C1)C(=O)N1CCN(CC1)c1noc(n1)-c1cc(F)c(OCCCO)cc1Cl Show InChI InChI=1S/C22H28ClFN4O4/c1-22(2)12-14(13-22)20(30)27-4-6-28(7-5-27)21-25-19(32-26-21)15-10-17(24)18(11-16(15)23)31-9-3-8-29/h10-11,14,29H,3-9,12-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay				Bioorg Med Chem Lett 24: 4807-11 (2014) Article DOI: 10.1016/j.bmcl.2014.09.003 BindingDB Entry DOI: 10.7270/Q28C9XT7
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50027946 (CHEMBL3344427) Show SMILES CC1(C)CC(C1)C(=O)N1CCN(CC1)c1noc(n1)-c1cc(F)c(OCCCO)cc1Cl Show InChI InChI=1S/C22H28ClFN4O4/c1-22(2)12-14(13-22)20(30)27-4-6-28(7-5-27)21-25-19(32-26-21)15-10-17(24)18(11-16(15)23)31-9-3-8-29/h10-11,14,29H,3-9,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay				Bioorg Med Chem Lett 24: 4807-11 (2014) Article DOI: 10.1016/j.bmcl.2014.09.003 BindingDB Entry DOI: 10.7270/Q28C9XT7
					More data for this Ligand-Target Pair