BindingDB logo
myBDB logout

BDBM50105002 4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(5-methyl-pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide::CHEMBL114933

SMILES: COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(C)cn2)c1

InChI Key: InChIKey=QUBGRIQQMPKMDD-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 = 50105002   
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)		BDBM50105002
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(5-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(C)cn2)c1
Show InChI InChI=1S/C28H31N5O6S/c1-19-16-29-27(30-17-19)38-14-13-37-26-24(39-22-8-6-7-21(15-22)36-5)25(31-18-32-26)33-40(34,35)23-11-9-20(10-12-23)28(2,3)4/h6-12,15-18H,13-14H2,1-5H3,(H,31,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.860n/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