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BDBM50281802 2-Butyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione::CHEMBL267056

SMILES: CCCCc1nc2c(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c(=O)[nH][nH]c2=O

InChI Key: InChIKey=WYORVCBZFIMQEE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50281802   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50281802
PNG
(2-Butyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nc2c(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c(=O)[nH][nH]c2=O
Show InChI InChI=1S/C23H22N8O2/c1-2-3-8-18-24-19-20(23(33)28-27-22(19)32)31(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-29-30-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,27,32)(H,28,33)(H,25,26,29,30)
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PC sid
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angiotensin II receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PG1TWM
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50281802
PNG
(2-Butyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nc2c(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c(=O)[nH][nH]c2=O
Show InChI InChI=1S/C23H22N8O2/c1-2-3-8-18-24-19-20(23(33)28-27-22(19)32)31(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-29-30-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,27,32)(H,28,33)(H,25,26,29,30)
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antibodypedia
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PC sid
UniChem

Patents

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Binding affinity to angiotensin AT1 receptor


Bioorg Med Chem 18: 8418-56 (2010)


Article DOI: 10.1016/j.bmc.2010.10.043
BindingDB Entry DOI: 10.7270/Q2H70G3T
More data for this
Ligand-Target Pair