BDBM50420013 CHEMBL2032305

SMILES: CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCC(O)=O)cnc2o1

InChI Key: InChIKey=VPQCOTNQPANAJR-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 = 50420013   

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 1 (Homo sapiens (Human))	BDBM50420013 (CHEMBL2032305) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCC(O)=O)cnc2o1 Show InChI InChI=1S/C18H17ClN2O4/c1-10(2)24-15-5-4-12(8-13(15)19)17-21-14-7-11(3-6-16(22)23)9-20-18(14)25-17/h4-5,7-10H,3,6H2,1-2H3,(H,22,23)	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	>3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at SIP1 receptor by tango assay				Bioorg Med Chem Lett 22: 3973-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50420013 (CHEMBL2032305) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc2cc(CCC(O)=O)cnc2o1 Show InChI InChI=1S/C18H17ClN2O4/c1-10(2)24-15-5-4-12(8-13(15)19)17-21-14-7-11(3-6-16(22)23)9-20-18(14)25-17/h4-5,7-10H,3,6H2,1-2H3,(H,22,23)	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 SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay				Bioorg Med Chem Lett 22: 3973-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS
					More data for this Ligand-Target Pair