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BDBM50105044 4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimidin-2-yloxy)-ethylsulfanyl]-pyrimidin-4-yl}-benzenesulfonamide::CHEMBL326105

SMILES: COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2SCCOc2ncccn2)c1

InChI Key: InChIKey=QGRASIBHNIRVJH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105044   
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)		BDBM50105044
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimi...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2SCCOc2ncccn2)c1
Show InChI InChI=1S/C27H29N5O5S2/c1-27(2,3)19-9-11-22(12-10-19)39(33,34)32-24-23(37-21-8-5-7-20(17-21)35-4)25(31-18-30-24)38-16-15-36-26-28-13-6-14-29-26/h5-14,17-18H,15-16H2,1-4H3,(H,30,31,32)
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PC cid
PC sid
UniChem

Patents
PubMed
n/an/a 25.8n/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