BDBM50335513 1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)methyl)azetidine-3-carboxylic acid::CHEMBL1651859

SMILES: C[C@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F

InChI Key: InChIKey=CXOPPLGMWBBMQK-OAHLLOKOSA-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 = 50335513   

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))	BDBM50335513 (1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-...) Show SMILES C[C@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F |r| Show InChI InChI=1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/m1/s1	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy				ACS Med Chem Lett 2: 107-112 (2011) Article DOI: 10.1021/ml100306h BindingDB Entry DOI: 10.7270/Q2H995G4
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50335513 (1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-...) Show SMILES C[C@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F |r| Show InChI InChI=1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/m1/s1	PDB NCI pathway Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	996	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay				ACS Med Chem Lett 2: 107-112 (2011) Article DOI: 10.1021/ml100306h BindingDB Entry DOI: 10.7270/Q2H995G4
					More data for this Ligand-Target Pair