BDBM50104987 CHEMBL367445::sodium salt of 4-tert-Butyl-N-{6-[2-(5-thiophen-2-yl-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-benzenesulfonamide

SMILES: Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)-c1cccs1

InChI Key: InChIKey=OIXCWSXEMAVSIY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50104987   

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
EDNRA (RAT)	BDBM50104987 (CHEMBL367445 | sodium salt of 4-tert-Butyl-N-{6-[2...) Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)-c1cccs1 Show InChI InChI=1S/C31H30N5O4S2/c1-21-7-9-22(10-8-21)27-28(36-42(37,38)25-13-11-24(12-14-25)31(2,3)4)34-20-35-29(27)39-15-16-40-30-32-18-23(19-33-30)26-6-5-17-41-26/h5-14,17-20H,15-16H2,1-4H3/q-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	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
EDNRB (Homo sapiens (Human))	BDBM50104987 (CHEMBL367445 | sodium salt of 4-tert-Butyl-N-{6-[2...) Show SMILES Cc1ccc(cc1)-c1c([N-]S(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)-c1cccs1 Show InChI InChI=1S/C31H30N5O4S2/c1-21-7-9-22(10-8-21)27-28(36-42(37,38)25-13-11-24(12-14-25)31(2,3)4)34-20-35-29(27)39-15-16-40-30-32-18-23(19-33-30)26-6-5-17-41-26/h5-14,17-20H,15-16H2,1-4H3/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro for specific binding of [125I]-ET-1 to GHcell expressed in Endothelin B receptor				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair