BDBM50420002 CHEMBL2018327

SMILES: COc1ccc(-c2noc(n2)-c2ccc(OC(C)C)c(Cl)c2)c2n(C)cc(CCC(O)=O)c12

InChI Key: InChIKey=HNHXPPCQOXEAMH-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 = 50420002   

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))	BDBM50420002 (CHEMBL2018327) Show SMILES COc1ccc(-c2noc(n2)-c2ccc(OC(C)C)c(Cl)c2)c2n(C)cc(CCC(O)=O)c12 Show InChI InChI=1S/C24H24ClN3O5/c1-13(2)32-18-8-5-14(11-17(18)25)24-26-23(27-33-24)16-7-9-19(31-4)21-15(6-10-20(29)30)12-28(3)22(16)21/h5,7-9,11-13H,6,10H2,1-4H3,(H,29,30)	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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50420002 (CHEMBL2018327) Show SMILES COc1ccc(-c2noc(n2)-c2ccc(OC(C)C)c(Cl)c2)c2n(C)cc(CCC(O)=O)c12 Show InChI InChI=1S/C24H24ClN3O5/c1-13(2)32-18-8-5-14(11-17(18)25)24-26-23(27-33-24)16-7-9-19(31-4)21-15(6-10-20(29)30)12-28(3)22(16)21/h5,7-9,11-13H,6,10H2,1-4H3,(H,29,30)	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	6.31	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by Tango assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
					More data for this Ligand-Target Pair