BDBM50335509 1-((4-(6-benzylthiazolo[5,4-b]pyridin-2-yl)-3-fluorophenyl)methyl)azetidine-3-carboxylic acid::CHEMBL1651853

SMILES: OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1

InChI Key: InChIKey=QMNUVBHTCZWIBM-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 = 50335509   

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))	BDBM50335509 (1-((4-(6-benzylthiazolo[5,4-b]pyridin-2-yl)-3-fluo...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1 Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-18(14-28)24(29)30)6-7-19(20)22-27-21-10-17(11-26-23(21)31-22)8-15-4-2-1-3-5-15/h1-7,9-11,18H,8,12-14H2,(H,29,30)	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	138	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))	BDBM50335509 (1-((4-(6-benzylthiazolo[5,4-b]pyridin-2-yl)-3-fluo...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1 Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-18(14-28)24(29)30)6-7-19(20)22-27-21-10-17(11-26-23(21)31-22)8-15-4-2-1-3-5-15/h1-7,9-11,18H,8,12-14H2,(H,29,30)	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	2.89E+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