BDBM50434456 CHEMBL2387692

SMILES: Cc1c(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)c1ccccc1)-c1ccccc1

InChI Key: InChIKey=IMFBZKHCNXKKLP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50434456   

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))	BDBM50434456 (CHEMBL2387692) Show SMILES Cc1c(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H22N2O4S/c1-18-22(16-24(28)29)25(19-10-4-2-5-11-19)26-27(18)17-20-12-8-9-15-23(20)32(30,31)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50434456 (CHEMBL2387692) Show SMILES Cc1c(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H22N2O4S/c1-18-22(16-24(28)29)25(19-10-4-2-5-11-19)26-27(18)17-20-12-8-9-15-23(20)32(30,31)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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))	BDBM50434456 (CHEMBL2387692) Show SMILES Cc1c(CC(O)=O)c(nn1Cc1ccccc1S(=O)(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H22N2O4S/c1-18-22(16-24(28)29)25(19-10-4-2-5-11-19)26-27(18)17-20-12-8-9-15-23(20)32(30,31)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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