BDBM50034569 CHEMBL3359841

SMILES: CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCCC(O)=O)Cc2c1

InChI Key: InChIKey=YXBFZKOGBUMFOM-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 = 50034569   

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))	BDBM50034569 (CHEMBL3359841) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCCC(O)=O)Cc2c1 Show InChI InChI=1S/C25H26N4O5/c1-16(2)33-22-8-6-18(13-19(22)14-26)25-27-24(28-34-25)17-5-7-21-20(12-17)15-29(10-11-32-21)9-3-4-23(30)31/h5-8,12-13,16H,3-4,9-11,15H2,1-2H3,(H,30,31)	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	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins				J Med Chem 57: 10424-42 (2014) Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50034569 (CHEMBL3359841) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCCC(O)=O)Cc2c1 Show InChI InChI=1S/C25H26N4O5/c1-16(2)33-22-8-6-18(13-19(22)14-26)25-27-24(28-34-25)17-5-7-21-20(12-17)15-29(10-11-32-21)9-3-4-23(30)31/h5-8,12-13,16H,3-4,9-11,15H2,1-2H3,(H,30,31)	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	2.51E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins				J Med Chem 57: 10424-42 (2014) Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX
					More data for this Ligand-Target Pair