BDBM50336953 1-((4-(5-(3,4-Difluorobenzyl)benzo[d]thiazol-2-yl)-3-fluorophenyl)methyl)azetidine-3-carboxylic acid::CHEMBL1672563

SMILES: OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1

InChI Key: InChIKey=COTGYKVNNDPSGU-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 = 50336953   

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))	BDBM50336953 (1-((4-(5-(3,4-Difluorobenzyl)benzo[d]thiazol-2-yl)...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1 Show InChI InChI=1S/C25H19F3N2O2S/c26-19-5-2-14(8-21(19)28)7-15-3-6-23-22(10-15)29-24(33-23)18-4-1-16(9-20(18)27)11-30-12-17(13-30)25(31)32/h1-6,8-10,17H,7,11-13H2,(H,31,32)	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	30	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))	BDBM50336953 (1-((4-(5-(3,4-Difluorobenzyl)benzo[d]thiazol-2-yl)...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1 Show InChI InChI=1S/C25H19F3N2O2S/c26-19-5-2-14(8-21(19)28)7-15-3-6-23-22(10-15)29-24(33-23)18-4-1-16(9-20(18)27)11-30-12-17(13-30)25(31)32/h1-6,8-10,17H,7,11-13H2,(H,31,32)	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	967	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