BDBM50420038 CHEMBL2032440

SMILES: OC(=O)C1CN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1

InChI Key: InChIKey=UOUDCIVZTBZFPO-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 = 50420038   

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))	BDBM50420038 (CHEMBL2032440) Show SMILES OC(=O)C1CN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1 Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-13-18(7-8-20(21)17-4-2-1-3-5-17)24-30-22-12-16(6-9-23(22)34-24)10-11-31-14-19(15-31)25(32)33/h1-9,12-13,19H,10-11,14-15H2,(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	0.398	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))	BDBM50420038 (CHEMBL2032440) Show SMILES OC(=O)C1CN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)C1 Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-13-18(7-8-20(21)17-4-2-1-3-5-17)24-30-22-12-16(6-9-23(22)34-24)10-11-31-14-19(15-31)25(32)33/h1-9,12-13,19H,10-11,14-15H2,(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	794	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