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BDBM50015270 CHEMBL262958::N-[4-(2-Butyl-4-chloro-5-methoxycarbonylmethyl-imidazol-1-ylmethyl)-phenyl]-phthalamic acid

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI Key: InChIKey=VPGBXMVPAQLPJI-UHFFFAOYSA-N

Data: 5 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50015270   
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)
BDBM50015270
PNG
(CHEMBL262958 | N-[4-(2-Butyl-4-chloro-5-methoxycar...)
Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)
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PubMed
n/an/a 420n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50015270
PNG
(CHEMBL262958 | N-[4-(2-Butyl-4-chloro-5-methoxycar...)
Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)
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n/an/a 140n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor type 1 (AT1) from rat liver.


J Med Chem 36: 1735-45 (1993)


BindingDB Entry DOI: 10.7270/Q28W3CCP
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50015270
PNG
(CHEMBL262958 | N-[4-(2-Butyl-4-chloro-5-methoxycar...)
Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.


J Med Chem 46: 716-26 (2003)


Article DOI: 10.1021/jm021032v
BindingDB Entry DOI: 10.7270/Q22B91RC
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50015270
PNG
(CHEMBL262958 | N-[4-(2-Butyl-4-chloro-5-methoxycar...)
Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)
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n/an/a 140n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


BindingDB Entry DOI: 10.7270/Q2PV6NMN
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50015270
PNG
(CHEMBL262958 | N-[4-(2-Butyl-4-chloro-5-methoxycar...)
Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)
PDB

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PC sid
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PubMed
n/an/a 140n/an/an/an/an/an/a



E. I. du Pont de Nemours& Company, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor


J Med Chem 33: 1312-29 (1990)


BindingDB Entry DOI: 10.7270/Q2TM7DCT
More data for this
Ligand-Target Pair