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SMILES: CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1[C@H]2[C@H](CCC2=O)ON1C

InChI Key: InChIKey=TYECQFDFMUOJRO-FAOMPSFFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282886   
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
Type-1 angiotensin II receptor


(Bos taurus)		BDBM50282886
PNG
(2-Butyl-6-((3S,3aS,6aS)-2-methyl-4-oxo-hexahydro-c...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H]1[C@H]2[C@H](CCC2=O)ON1C
Show InChI InChI=1S/C33H33N7O3/c1-3-4-9-29-34-26-15-14-22(31-30-27(41)16-17-28(30)43-39(31)2)18-25(26)33(42)40(29)19-20-10-12-21(13-11-20)23-7-5-6-8-24(23)32-35-37-38-36-32/h5-8,10-15,18,28,30-31H,3-4,9,16-17,19H2,1-2H3,(H,35,36,37,38)/t28-,30+,31+/m0/s1
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Article
n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex

Bioorg Med Chem Lett 4: 1819-1824 (1994)


Article DOI: 10.1016/S0960-894X(01)80377-2
BindingDB Entry DOI: 10.7270/Q21V5DXH
More data for this
Ligand-Target Pair