BDBM50105052 2-{2-[6-(4-tert-Butyl-benzenesulfonylamino)-5-p-tolyl-pyrimidin-4-yloxy]-ethoxy}-pyrimidine-5-carboxylic acid. 0.6H2O::CHEMBL324613

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

InChI Key: InChIKey=ZTMWRMDLWSYVBC-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 = 50105052   

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)	BDBM50105052 (2-{2-[6-(4-tert-Butyl-benzenesulfonylamino)-5-p-to...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)C(O)=O Show InChI InChI=1S/C28H29N5O6S/c1-18-5-7-19(8-6-18)23-24(33-40(36,37)22-11-9-21(10-12-22)28(2,3)4)31-17-32-25(23)38-13-14-39-27-29-15-20(16-30-27)26(34)35/h5-12,15-17H,13-14H2,1-4H3,(H,34,35)(H,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	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