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PDB code 4ZUD

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
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

  (291/315 = 92%)
(Bos taurus)
BDBM50241364
PNG
(4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-te...)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O
Show InChI InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
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Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Displacement of radiolabeled angiotensin 2 from angiotensin AT1 receptor in bovine adrenal cortex membranes


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
3D
3D Structure (crystal)
Type-1 angiotensin II receptor

  (291/315 = 92%)
(Bos taurus)
BDBM50241364
PNG
(4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-te...)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O
Show InChI InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
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PC cid
PC sid
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Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Binding affinity to angiotensin AT1 receptor in bovine adrenal cortex membranes


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
3D
3D Structure (crystal)
Type-1 angiotensin II receptor

  (291/315 = 92%)
(Bos taurus)
BDBM50241364
PNG
(4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-te...)
Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O
Show InChI InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
PDB

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CHEMBL
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MCE
PC cid
PC sid
PDB
UniChem

Patents


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PDB
Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Sankyo Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin II receptor type 1 in membrane fractions of bovine adrenal cortex


J Med Chem 39: 323-38 (1996)


Article DOI: 10.1021/jm950450f
BindingDB Entry DOI: 10.7270/Q28S4P18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output