BDBM50434453 CHEMBL2385125

SMILES: Cc1nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c(C)c1CC(O)=O

InChI Key: InChIKey=STAAABGFPYEVCS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50434453   

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))	BDBM50434453 (CHEMBL2385125) Show SMILES Cc1nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c(C)c1CC(O)=O Show InChI InChI=1S/C20H20N2O4S/c1-14-18(12-20(23)24)15(2)22(21-14)13-16-8-6-7-11-19(16)27(25,26)17-9-4-3-5-10-17/h3-11H,12-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding preinc...				Bioorg Med Chem Lett 23: 3349-53 (2013) Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50434453 (CHEMBL2385125) Show SMILES Cc1nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c(C)c1CC(O)=O Show InChI InChI=1S/C20H20N2O4S/c1-14-18(12-20(23)24)15(2)22(21-14)13-16-8-6-7-11-19(16)27(25,26)17-9-4-3-5-10-17/h3-11H,12-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins fo...				Bioorg Med Chem Lett 23: 3349-53 (2013) Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ
					More data for this Ligand-Target Pair