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BDBM50105021 4-tert-Butyl-N-{5-(4-isopropyl-phenyl)-6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide::CHEMBL115230

SMILES: CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(cc2)C(C)C)nc1

InChI Key: InChIKey=TWWWIUXRXGITJN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105021   
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)		BDBM50105021
PNG
(4-tert-Butyl-N-{5-(4-isopropyl-phenyl)-6-[2-(5-met...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(cc2)C(C)C)nc1
Show InChI InChI=1S/C30H35N5O4S2/c1-20(2)21-7-9-22(10-8-21)26-27(35-41(36,37)25-13-11-23(12-14-25)30(3,4)5)33-19-34-28(26)38-15-16-39-29-31-17-24(40-6)18-32-29/h7-14,17-20H,15-16H2,1-6H3,(H,33,34,35)
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20n/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