BDBM50336948 1-(3-Fluoro-4-(5-(2-methylbenzyl)benzo[d]thiazol-2-yl)benzyl)azetidine-3-carboxylic acid::CHEMBL1672564

SMILES: Cc1ccccc1Cc1ccc2sc(nc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F

InChI Key: InChIKey=NZYHKOWYAGUHOY-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 = 50336948   

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))	BDBM50336948 (1-(3-Fluoro-4-(5-(2-methylbenzyl)benzo[d]thiazol-2...) Show SMILES Cc1ccccc1Cc1ccc2sc(nc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F Show InChI InChI=1S/C26H23FN2O2S/c1-16-4-2-3-5-19(16)10-17-7-9-24-23(12-17)28-25(32-24)21-8-6-18(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(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	26	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr				ACS Med Chem Lett 2: 102-106 (2011) Article DOI: 10.1021/ml100228m BindingDB Entry DOI: 10.7270/Q2T72HR9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50336948 (1-(3-Fluoro-4-(5-(2-methylbenzyl)benzo[d]thiazol-2...) Show SMILES Cc1ccccc1Cc1ccc2sc(nc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F Show InChI InChI=1S/C26H23FN2O2S/c1-16-4-2-3-5-19(16)10-17-7-9-24-23(12-17)28-25(32-24)21-8-6-18(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(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	2.44E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay				ACS Med Chem Lett 2: 102-106 (2011) Article DOI: 10.1021/ml100228m BindingDB Entry DOI: 10.7270/Q2T72HR9
					More data for this Ligand-Target Pair