BindingDB logo
myBDB logout

BDBM50107560 CHEMBL354528::N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N1CCN(C)CC1

InChI Key: InChIKey=NMHKNNATZNLGSX-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 = 50107560   
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)		BDBM50107560
PNG
(CHEMBL354528 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N1CCN(C)CC1
Show InChI InChI=1S/C32H38BrN7O6S/c1-32(2,3)22-10-12-24(13-11-22)47(41,42)38-28-27(46-26-9-7-6-8-25(26)43-5)29(37-30(36-28)40-16-14-39(4)15-17-40)44-18-19-45-31-34-20-23(33)21-35-31/h6-13,20-21H,14-19H2,1-5H3,(H,36,37,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.450n/an/an/an/an/an/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