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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 = 'BDBM50503882'   
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))
BDBM50503882
PNG
(CHEMBL4535256)
Show SMILES CCCCc1nc(C)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r|
Show InChI InChI=1S/C30H39N3O3S/c1-5-6-11-28-32-21(4)27(17-31-29(34)24(19-37)16-20(2)3)33(28)18-22-12-14-23(15-13-22)25-9-7-8-10-26(25)30(35)36/h7-10,12-15,20,24,37H,5-6,11,16-19H2,1-4H3,(H,31,34)(H,35,36)/t24-/m1/s1
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50n/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