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SMILES: CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

InChI Key: InChIKey=WXGFWVAZGIOWBV-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50283317   
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-2 angiotensin II receptor


(RAT)
BDBM50283317
PNG
(2-Propyl-3-(3-fluoro-2'-(3-methylbutyloxycarbonyla...)
Show SMILES CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H40FN5O7S/c1-4-7-32-38-30-13-12-26(37-34(43)40-15-18-47-19-16-40)21-28(30)33(42)41(32)22-25-11-10-24(20-29(25)36)27-8-5-6-9-31(27)49(45,46)39-35(44)48-17-14-23(2)3/h5-6,8-13,20-21,23H,4,7,14-19,22H2,1-3H3,(H,37,43)(H,39,44)
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n/an/a 0.480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II, type 2 of rat midbrain membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50283317
PNG
(2-Propyl-3-(3-fluoro-2'-(3-methylbutyloxycarbonyla...)
Show SMILES CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H40FN5O7S/c1-4-7-32-38-30-13-12-26(37-34(43)40-15-18-47-19-16-40)21-28(30)33(42)41(32)22-25-11-10-24(20-29(25)36)27-8-5-6-9-31(27)49(45,46)39-35(44)48-17-14-23(2)3/h5-6,8-13,20-21,23H,4,7,14-19,22H2,1-3H3,(H,37,43)(H,39,44)
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n/an/a 0.240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II receptor, type 1 of rabbit aorta membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50283317
PNG
(2-Propyl-3-(3-fluoro-2'-(3-methylbutyloxycarbonyla...)
Show SMILES CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H40FN5O7S/c1-4-7-32-38-30-13-12-26(37-34(43)40-15-18-47-19-16-40)21-28(30)33(42)41(32)22-25-11-10-24(20-29(25)36)27-8-5-6-9-31(27)49(45,46)39-35(44)48-17-14-23(2)3/h5-6,8-13,20-21,23H,4,7,14-19,22H2,1-3H3,(H,37,43)(H,39,44)
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II, type 2 of rat midbrain membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50283317
PNG
(2-Propyl-3-(3-fluoro-2'-(3-methylbutyloxycarbonyla...)
Show SMILES CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H40FN5O7S/c1-4-7-32-38-30-13-12-26(37-34(43)40-15-18-47-19-16-40)21-28(30)33(42)41(32)22-25-11-10-24(20-29(25)36)27-8-5-6-9-31(27)49(45,46)39-35(44)48-17-14-23(2)3/h5-6,8-13,20-21,23H,4,7,14-19,22H2,1-3H3,(H,37,43)(H,39,44)
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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against AT2 receptor of human adrenal membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50283317
PNG
(2-Propyl-3-(3-fluoro-2'-(3-methylbutyloxycarbonyla...)
Show SMILES CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H40FN5O7S/c1-4-7-32-38-30-13-12-26(37-34(43)40-15-18-47-19-16-40)21-28(30)33(42)41(32)22-25-11-10-24(20-29(25)36)27-8-5-6-9-31(27)49(45,46)39-35(44)48-17-14-23(2)3/h5-6,8-13,20-21,23H,4,7,14-19,22H2,1-3H3,(H,37,43)(H,39,44)
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Article
n/an/a 0.130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II, type 2 of rat midbrain membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50283317
PNG
(2-Propyl-3-(3-fluoro-2'-(3-methylbutyloxycarbonyla...)
Show SMILES CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H40FN5O7S/c1-4-7-32-38-30-13-12-26(37-34(43)40-15-18-47-19-16-40)21-28(30)33(42)41(32)22-25-11-10-24(20-29(25)36)27-8-5-6-9-31(27)49(45,46)39-35(44)48-17-14-23(2)3/h5-6,8-13,20-21,23H,4,7,14-19,22H2,1-3H3,(H,37,43)(H,39,44)
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n/an/a 0.710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against Angiotensin II receptor, type 1 of human adrenal membrane


Bioorg Med Chem Lett 4: 2337-2342 (1994)


Article DOI: 10.1016/0960-894X(94)85036-4
BindingDB Entry DOI: 10.7270/Q2X066Z9
More data for this
Ligand-Target Pair