BDBM50335511 1-(3-fluoro-4-(5-(1-phenylcyclobutyl)thiazolo[5,4-b]pyridin-2-yl)benzyl)azetidine-3-carboxylic acid::CHEMBL1651862

SMILES: OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCC3)c3ccccc3)c(F)c2)C1

InChI Key: InChIKey=KVSCIJUANFKDHN-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 = 50335511   

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))	BDBM50335511 (1-(3-fluoro-4-(5-(1-phenylcyclobutyl)thiazolo[5,4-...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCC3)c3ccccc3)c(F)c2)C1 Show InChI InChI=1S/C27H24FN3O2S/c28-21-13-17(14-31-15-18(16-31)26(32)33)7-8-20(21)24-29-22-9-10-23(30-25(22)34-24)27(11-4-12-27)19-5-2-1-3-6-19/h1-3,5-10,13,18H,4,11-12,14-16H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	119	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))	BDBM50335511 (1-(3-fluoro-4-(5-(1-phenylcyclobutyl)thiazolo[5,4-...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCC3)c3ccccc3)c(F)c2)C1 Show InChI InChI=1S/C27H24FN3O2S/c28-21-13-17(14-31-15-18(16-31)26(32)33)7-8-20(21)24-29-22-9-10-23(30-25(22)34-24)27(11-4-12-27)19-5-2-1-3-6-19/h1-3,5-10,13,18H,4,11-12,14-16H2,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.31E+3	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