BDBM50105046 CHEMBL112134::Naphthalene-2-sulfonic acid {6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-amide

SMILES: Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc3ccccc3c2)ncnc1OCCOc1ncc(Br)cn1

InChI Key: InChIKey=FQOUOALOMZURHX-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 = 50105046   

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)	BDBM50105046 (CHEMBL112134 | Naphthalene-2-sulfonic acid {6-[2-(...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc3ccccc3c2)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H22BrN5O4S/c1-18-6-8-20(9-7-18)24-25(33-38(34,35)23-11-10-19-4-2-3-5-21(19)14-23)31-17-32-26(24)36-12-13-37-27-29-15-22(28)16-30-27/h2-11,14-17H,12-13H2,1H3,(H,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair