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BDBM50107566 CHEMBL354942::N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-2-(3-hydroxy-propylamino)-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

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

InChI Key: InChIKey=XMUSWHWKWKWBOC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107566   
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)		BDBM50107566
PNG
(CHEMBL354942 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCCO)nc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C30H35BrN6O7S/c1-30(2,3)20-10-12-22(13-11-20)45(39,40)37-26-25(44-24-9-6-5-8-23(24)41-4)27(36-28(35-26)32-14-7-15-38)42-16-17-43-29-33-18-21(31)19-34-29/h5-6,8-13,18-19,38H,7,14-17H2,1-4H3,(H2,32,35,36,37)
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>10n/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