BDBM50154776 CHEMBL3774629

SMILES: OC(=O)CN1c2cccnc2N(Cc2ccccc2S(=O)(=O)c2ccccc2)S1(=O)=O

InChI Key: InChIKey=PAQZZOZDTFXOHR-UHFFFAOYSA-N

Data: 1 IC50

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 = 50154776   

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))	BDBM50154776 (CHEMBL3774629) Show SMILES OC(=O)CN1c2cccnc2N(Cc2ccccc2S(=O)(=O)c2ccccc2)S1(=O)=O Show InChI InChI=1S/C20H17N3O6S2/c24-19(25)14-22-17-10-6-12-21-20(17)23(31(22,28)29)13-15-7-4-5-11-18(15)30(26,27)16-8-2-1-3-9-16/h1-12H,13-14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter				Eur J Med Chem 113: 102-33 (2016) BindingDB Entry DOI: 10.7270/Q2K64KXM
					More data for this Ligand-Target Pair