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BDBM50107567 CHEMBL170908::N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-2-propyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

SMILES: CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1

InChI Key: InChIKey=MCADAWLJIGWZAU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107567   
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)		BDBM50107567
PNG
(CHEMBL170908 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1
Show InChI InChI=1S/C30H34BrN5O6S/c1-6-9-25-34-27(36-43(37,38)22-14-12-20(13-15-22)30(2,3)4)26(42-24-11-8-7-10-23(24)39-5)28(35-25)40-16-17-41-29-32-18-21(31)19-33-29/h7-8,10-15,18-19H,6,9,16-17H2,1-5H3,(H,34,35,36)
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.0260n/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