BDBM50419994 CHEMBL2018318

SMILES: CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCC(O)=O)c[nH]c12

InChI Key: InChIKey=SCECTVMQNLKRKN-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 = 50419994   

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))	BDBM50419994 (CHEMBL2018318) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCC(O)=O)c[nH]c12 Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-10-9-14(11-18(19)24)23-26-22(27-31-23)17-7-4-6-16-15(12-25-21(16)17)5-3-8-20(28)29/h4,6-7,9-13,25H,3,5,8H2,1-2H3,(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
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))	BDBM50419994 (CHEMBL2018318) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCC(O)=O)c[nH]c12 Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-10-9-14(11-18(19)24)23-26-22(27-31-23)17-7-4-6-16-15(12-25-21(16)17)5-3-8-20(28)29/h4,6-7,9-13,25H,3,5,8H2,1-2H3,(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	0.398	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