BDBM50105059 2-(4-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-ylsulfamoyl}-phenyl)-2-methyl-propionic acid. CH2Cl2::CHEMBL115147

SMILES: Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C(O)=O)ncnc1OCCOc1ncc(Br)cn1

InChI Key: InChIKey=XXMMPKQWFWFTFD-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 = 50105059   

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
Endothelin receptor ET-A (Sus scrofa)	BDBM50105059 (2-(4-{6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-p...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C(O)=O)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H26BrN5O6S/c1-17-4-6-18(7-5-17)22-23(31-16-32-24(22)38-12-13-39-26-29-14-20(28)15-30-26)33-40(36,37)21-10-8-19(9-11-21)27(2,3)25(34)35/h4-11,14-16H,12-13H2,1-3H3,(H,34,35)(H,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair