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SMILES: CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

InChI Key: InChIKey=QFAHRFZHXJVCDW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50283302   
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)
BDBM50283302
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-33(42)39(6)22(4)5)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-10-8-9-11-30(26)47(44,45)38-34(43)46-17-16-21(2)3/h8-15,18-19,21-22H,7,16-17,20H2,1-6H3,(H,36,42)(H,38,43)
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n/an/a 0.200n/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)
BDBM50283302
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-33(42)39(6)22(4)5)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-10-8-9-11-30(26)47(44,45)38-34(43)46-17-16-21(2)3/h8-15,18-19,21-22H,7,16-17,20H2,1-6H3,(H,36,42)(H,38,43)
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n/an/a 0.620n/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-1 angiotensin II receptor A/B


(RAT)
BDBM50283302
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-33(42)39(6)22(4)5)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-10-8-9-11-30(26)47(44,45)38-34(43)46-17-16-21(2)3/h8-15,18-19,21-22H,7,16-17,20H2,1-6H3,(H,36,42)(H,38,43)
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Article
n/an/a 0.300n/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))
BDBM50283302
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-33(42)39(6)22(4)5)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-10-8-9-11-30(26)47(44,45)38-34(43)46-17-16-21(2)3/h8-15,18-19,21-22H,7,16-17,20H2,1-6H3,(H,36,42)(H,38,43)
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n/an/a 9.20n/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-2 angiotensin II receptor


(RAT)
BDBM50283302
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-33(42)39(6)22(4)5)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-10-8-9-11-30(26)47(44,45)38-34(43)46-17-16-21(2)3/h8-15,18-19,21-22H,7,16-17,20H2,1-6H3,(H,36,42)(H,38,43)
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Article
n/an/a 0.300n/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))
BDBM50283302
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-33(42)39(6)22(4)5)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-10-8-9-11-30(26)47(44,45)38-34(43)46-17-16-21(2)3/h8-15,18-19,21-22H,7,16-17,20H2,1-6H3,(H,36,42)(H,38,43)
PDB

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Article
n/an/a 10n/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