BDBM50420030 CHEMBL2032432

SMILES: OC(=O)CC1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F

InChI Key: InChIKey=JPYUAFQCGUZORV-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 = 50420030   

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))	BDBM50420030 (CHEMBL2032432) Show SMILES OC(=O)CC1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-15-19(6-8-21(22)18-4-2-1-3-5-18)26-31-23-16-20(7-9-24(23)35-26)32-12-10-17(11-13-32)14-25(33)34/h1-9,15-17H,10-14H2,(H,33,34)	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	1.26	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))	BDBM50420030 (CHEMBL2032432) Show SMILES OC(=O)CC1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)22-15-19(6-8-21(22)18-4-2-1-3-5-18)26-31-23-16-20(7-9-24(23)35-26)32-12-10-17(11-13-32)14-25(33)34/h1-9,15-17H,10-14H2,(H,33,34)	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	1.26E+3	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