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BDBM50003399 4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid::4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid;H2O::4-Chloro-5-hydroxymethyl-3-imidazol-1-ylmethyl-biphenyl-2-carboxylic acid butyl ester::CHEMBL274447::i4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid::{2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-yl}-methanol (EXP7711 (IMI))

SMILES: CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

InChI Key: InChIKey=UUPNFNCKGJOLQE-UHFFFAOYSA-N

Data: 14 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50003399   
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


(Cavia porcellus)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 430n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 230n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor of rat adrenal cortical membrane


J Med Chem 34: 2525-47 (1991)


Article DOI: 10.1021/jm00112a031
BindingDB Entry DOI: 10.7270/Q2QN690P
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 350n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation


J Med Chem 36: 4040-51 (1994)


Article DOI: 10.1021/jm00077a007
BindingDB Entry DOI: 10.7270/Q2V98746
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Searle & Company

Curated by ChEMBL


Assay Description
Activity against low affinity Angiotensin II receptor, type 2 was measured from the ability to inhibit [125I]-angiotensin II binding to rat uterine m...


J Med Chem 36: 101-10 (1993)


Article DOI: 10.1021/jm00053a013
BindingDB Entry DOI: 10.7270/Q2KH0MDW
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Searle & Company

Curated by ChEMBL


Assay Description
Activity against high affinity Angiotensin II receptor, type 1 was measured from the ability to inhibit [125I]-angiotensin II binding to rat uterine ...


J Med Chem 36: 101-10 (1993)


Article DOI: 10.1021/jm00053a013
BindingDB Entry DOI: 10.7270/Q2KH0MDW
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 490n/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
Angiotensin II AT1B


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 300n/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)


Article DOI: 10.1021/jm00064a007
BindingDB Entry DOI: 10.7270/Q28W3CCP
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/an/an/a 2.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)


Article DOI: 10.1016/S0960-894X(01)81134-3
BindingDB Entry DOI: 10.7270/Q2VD6ZC9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125l]-All binding to bovine adrenal cortex


Bioorg Med Chem Lett 4: 177-182 (1994)


Article DOI: 10.1016/S0960-894X(01)81143-4
BindingDB Entry DOI: 10.7270/Q2BG2NZQ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 receptor


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 330n/an/an/an/an/an/a



Searle R&D and MCR

Curated by ChEMBL


Assay Description
Ability to displace [125I]-labeled angiotensin II from its receptor of a rat uterus membrane


J Med Chem 34: 2410-4 (1991)


Article DOI: 10.1021/jm00112a015
BindingDB Entry DOI: 10.7270/Q2G73GZV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 280n/an/an/an/an/an/a



Searle R&D and MCR

Curated by ChEMBL


Assay Description
Ability to displace [125I]-labeled angiotensin II from its receptor of a rat uterus membrane


J Med Chem 34: 2410-4 (1991)


Article DOI: 10.1021/jm00112a015
BindingDB Entry DOI: 10.7270/Q2G73GZV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 170n/an/an/an/an/an/a



Searle R&D and MCR

Curated by ChEMBL


Assay Description
Ability to displace [125I]-labeled angiotensin II from its receptor of a rat uterus membrane


J Med Chem 34: 2410-4 (1991)


Article DOI: 10.1021/jm00112a015
BindingDB Entry DOI: 10.7270/Q2G73GZV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 480n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 230n/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)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair