BDBM50027955 CHEMBL3344435

SMILES: OC(=O)CCOc1cc(Cl)c(cc1F)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1

InChI Key: InChIKey=RNKRXIVHRRCQAV-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 = 50027955   

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))	BDBM50027955 (CHEMBL3344435) Show SMILES OC(=O)CCOc1cc(Cl)c(cc1F)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C21H24ClFN4O5/c22-15-12-17(31-10-5-18(28)29)16(23)11-14(15)19-24-21(25-32-19)27-8-6-26(7-9-27)20(30)13-3-1-2-4-13/h11-13H,1-10H2,(H,28,29)	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))	BDBM50027955 (CHEMBL3344435) Show SMILES OC(=O)CCOc1cc(Cl)c(cc1F)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C21H24ClFN4O5/c22-15-12-17(31-10-5-18(28)29)16(23)11-14(15)19-24-21(25-32-19)27-8-6-26(7-9-27)20(30)13-3-1-2-4-13/h11-13H,1-10H2,(H,28,29)	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	240	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