BDBM50428146 CHEMBL2336067

SMILES: C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(C)c1

InChI Key: InChIKey=ONJGGOAOIKKBKX-BIZUNTBRSA-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 = 50428146   

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))	BDBM50428146 (CHEMBL2336067) Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(C)c1 Show InChI InChI=1S/C27H33F3N2O3/c1-18-14-22(9-10-23(18)16-31-13-12-26(33)34)19(2)32-35-17-20-8-11-24(21-6-4-3-5-7-21)25(15-20)27(28,29)30/h8-11,14-15,21,31H,3-7,12-13,16-17H2,1-2H3,(H,33,34)/b32-19+	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	2	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...				ACS Med Chem Lett 4: 333-7 (2013) Article DOI: 10.1021/ml300396r BindingDB Entry DOI: 10.7270/Q2RF5WCH
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50428146 (CHEMBL2336067) Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(C)c1 Show InChI InChI=1S/C27H33F3N2O3/c1-18-14-22(9-10-23(18)16-31-13-12-26(33)34)19(2)32-35-17-20-8-11-24(21-6-4-3-5-7-21)25(15-20)27(28,29)30/h8-11,14-15,21,31H,3-7,12-13,16-17H2,1-2H3,(H,33,34)/b32-19+	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	5.90E+3	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...				ACS Med Chem Lett 4: 333-7 (2013) Article DOI: 10.1021/ml300396r BindingDB Entry DOI: 10.7270/Q2RF5WCH
					More data for this Ligand-Target Pair