BDBM50319495 CHEMBL1082610::rac-{3-[2-(3,5-Dimethyl-isoxazol-4-ylmethyl)-1,1-dioxo-1lambda*6*-isothiazolidin-3-yl]-2-methyl-indol-1-yl}-acetic acid

SMILES: Cc1noc(C)c1CN1C(CCS1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12

InChI Key: InChIKey=CTQQSZNYLQIYHA-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50319495   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50319495 (CHEMBL1082610 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...) Show SMILES Cc1noc(C)c1CN1C(CCS1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C20H23N3O5S/c1-12-16(14(3)28-21-12)10-23-18(8-9-29(23,26)27)20-13(2)22(11-19(24)25)17-7-5-4-6-15(17)20/h4-7,18H,8-11H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Athersys, Inc. Curated by ChEMBL					Assay Description Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay				Bioorg Med Chem Lett 20: 3287-90 (2010) Article DOI: 10.1016/j.bmcl.2010.04.046 BindingDB Entry DOI: 10.7270/Q26973QW
					More data for this Ligand-Target Pair