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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 = 'BDBM50503874'   
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))		BDBM50503874
PNG
(CHEMBL4534876)
Show SMILES CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2cccc3ccccc23)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C36H36ClN3O3S/c1-2-3-15-33-39-34(37)32(21-38-35(41)28(23-44)20-27-11-8-10-25-9-4-5-12-29(25)27)40(33)22-24-16-18-26(19-17-24)30-13-6-7-14-31(30)36(42)43/h4-14,16-19,28,44H,2-3,15,20-23H2,1H3,(H,38,41)(H,42,43)
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 398n/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