BDBM50027956 CHEMBL3344436

SMILES: OC(=O)C1CN(Cc2cc(Cl)c(cc2F)-c2nc(no2)N2CCN(CC2)C(=O)C2CCCC2)C1

InChI Key: InChIKey=STZOUPXERQYDJW-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 = 50027956   

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))	BDBM50027956 (CHEMBL3344436) Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(cc2F)-c2nc(no2)N2CCN(CC2)C(=O)C2CCCC2)C1 Show InChI InChI=1S/C23H27ClFN5O4/c24-18-9-15(11-28-12-16(13-28)22(32)33)19(25)10-17(18)20-26-23(27-34-20)30-7-5-29(6-8-30)21(31)14-3-1-2-4-14/h9-10,14,16H,1-8,11-13H2,(H,32,33)	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))	BDBM50027956 (CHEMBL3344436) Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(cc2F)-c2nc(no2)N2CCN(CC2)C(=O)C2CCCC2)C1 Show InChI InChI=1S/C23H27ClFN5O4/c24-18-9-15(11-28-12-16(13-28)22(32)33)19(25)10-17(18)20-26-23(27-34-20)30-7-5-29(6-8-30)21(31)14-3-1-2-4-14/h9-10,14,16H,1-8,11-13H2,(H,32,33)	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	2.10E+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