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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 = 'BDBM50503900'   
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))		BDBM50503900
PNG
(CHEMBL4456544)
Show SMILES CCCCc1nc(C2CC2)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |r|
Show InChI InChI=1S/C32H41N3O3S/c1-4-5-10-29-34-30(24-15-16-24)28(18-33-31(36)25(20-39)17-21(2)3)35(29)19-22-11-13-23(14-12-22)26-8-6-7-9-27(26)32(37)38/h6-9,11-14,21,24-25,39H,4-5,10,15-20H2,1-3H3,(H,33,36)(H,37,38)/t25-/m1/s1
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Article
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 6.30n/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