BDBM50420028 CHEMBL2032430

SMILES: OC(=O)CCNCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F

InChI Key: InChIKey=PAWCQPGPSSLSAG-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 = 50420028   

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))	BDBM50420028 (CHEMBL2032430) Show SMILES OC(=O)CCNCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-15-18(7-8-19(20)17-4-2-1-3-5-17)24-30-21-14-16(6-9-22(21)33-24)10-12-29-13-11-23(31)32/h1-9,14-15,29H,10-13H2,(H,31,32)	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	0.0316	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))	BDBM50420028 (CHEMBL2032430) Show SMILES OC(=O)CCNCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-15-18(7-8-19(20)17-4-2-1-3-5-17)24-30-21-14-16(6-9-22(21)33-24)10-12-29-13-11-23(31)32/h1-9,14-15,29H,10-13H2,(H,31,32)	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	200	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