BindingDB logo
myBDB logout

BDBM50104983 4-tert-Butyl-N-{6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-5-thiophen-2-yl-pyrimidin-4-yl}-benzenesulfonamide::CHEMBL441277

SMILES: CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2cccs2)nc1

InChI Key: InChIKey=QJOCZMWMMREHAY-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 = 50104983   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Endothelin receptor ET-A


(Sus scrofa)		BDBM50104983
PNG
(4-tert-Butyl-N-{6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2cccs2)nc1
Show InChI InChI=1S/C25H27N5O4S3/c1-25(2,3)17-7-9-19(10-8-17)37(31,32)30-22-21(20-6-5-13-36-20)23(29-16-28-22)33-11-12-34-24-26-14-18(35-4)15-27-24/h5-10,13-16H,11-12H2,1-4H3,(H,28,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.890n/an/an/an/an/an/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