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BDBM50107565 CHEMBL166875::N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-2-methyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

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

InChI Key: InChIKey=FPWSONXCLFDXOT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107565   
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)		BDBM50107565
PNG
(CHEMBL166875 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C28H30BrN5O6S/c1-18-32-25(34-41(35,36)21-12-10-19(11-13-21)28(2,3)4)24(40-23-9-7-6-8-22(23)37-5)26(33-18)38-14-15-39-27-30-16-20(29)17-31-27/h6-13,16-17H,14-15H2,1-5H3,(H,32,33,34)
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.70n/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