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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50503904'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM50503904
PNG
(CHEMBL4440944)
Show SMILES CCCCc1nc(Cl)c(CNC(=O)CNC(=O)C(CS)Cc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C34H37ClN8O2S/c1-2-3-13-30-38-32(35)29(19-36-31(44)20-37-34(45)26(22-46)18-23-9-5-4-6-10-23)43(30)21-24-14-16-25(17-15-24)27-11-7-8-12-28(27)33-39-41-42-40-33/h4-12,14-17,26,46H,2-3,13,18-22H2,1H3,(H,36,44)(H,37,45)(H,39,40,41,42)
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 10n/an/an/an/an/an/an/an/a



Theravance Biopharma US Inc.

Curated by ChEMBL


Assay Description
Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA

ACS Med Chem Lett 10: 86-91 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00462
BindingDB Entry DOI: 10.7270/Q2D50R6V
More data for this
Ligand-Target Pair