BDBM50107570 CHEMBL169872::N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-[(2-hydroxy-ethyl)-methyl-amino]-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N(C)CCO

InChI Key: InChIKey=MBWVDUHYYPVIJE-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 = 50107570   

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)	BDBM50107570 (CHEMBL169872 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N(C)CCO Show InChI InChI=1S/C30H35BrN6O7S/c1-30(2,3)20-10-12-22(13-11-20)45(39,40)36-26-25(44-24-9-7-6-8-23(24)41-5)27(35-28(34-26)37(4)14-15-38)42-16-17-43-29-32-18-21(31)19-33-29/h6-13,18-19,38H,14-17H2,1-5H3,(H,34,35,36)	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 In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair