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BDBM50281524 CHEMBL123713::[3,3-Diethyl-5-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pyrrolidin-(2Z)-ylidene]-acetic acid ethyl ester

SMILES: CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1(CC)CC

InChI Key: InChIKey=JNYGGWPRWHVUGL-JCMHNJIXSA-N

Data: 2 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50281524   
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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50281524
PNG
(CHEMBL123713 | [3,3-Diethyl-5-oxo-1-[2'-(1H-tetraz...)
Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1(CC)CC
Show InChI InChI=1S/C26H29N5O3/c1-4-26(5-2)16-23(32)31(22(26)15-24(33)34-6-3)17-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-27-29-30-28-25/h7-15H,4-6,16-17H2,1-3H3,(H,27,28,29,30)/b22-15-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 12.6n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aortic strip assessed as inhibition of angiotensin 2-induced contractile response


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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50281524
PNG
(CHEMBL123713 | [3,3-Diethyl-5-oxo-1-[2'-(1H-tetraz...)
Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1(CC)CC
Show InChI InChI=1S/C26H29N5O3/c1-4-26(5-2)16-23(32)31(22(26)15-24(33)34-6-3)17-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-27-29-30-28-25/h7-15H,4-6,16-17H2,1-3H3,(H,27,28,29,30)/b22-15-
PDB

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PC cid
PC sid
UniChem
Article
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n/an/a 100n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit adrenal cortex assessed as inhibition of angiotensin 2-induced contractile response


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
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50281524
PNG
(CHEMBL123713 | [3,3-Diethyl-5-oxo-1-[2'-(1H-tetraz...)
Show SMILES CCOC(=O)\C=C1/N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC1(CC)CC
Show InChI InChI=1S/C26H29N5O3/c1-4-26(5-2)16-23(32)31(22(26)15-24(33)34-6-3)17-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-27-29-30-28-25/h7-15H,4-6,16-17H2,1-3H3,(H,27,28,29,30)/b22-15-
PDB

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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex mem...


Bioorg Med Chem Lett 3: 369-374 (1993)


Article DOI: 10.1016/S0960-894X(01)80914-8
BindingDB Entry DOI: 10.7270/Q20G3K2H
More data for this
Ligand-Target Pair