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BDBM50283311 2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonylaminosulphonyl)-biphenyl-4-ylmethyl)-6-(2-pyridylcarbonylamino)-3H-quinazolin-4-one::CHEMBL74144

SMILES: CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

InChI Key: InChIKey=ARHOSTGQGGKVFS-UHFFFAOYSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50283311   
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)
BDBM50283311
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H34FN5O6S/c1-4-32-39-29-15-14-25(38-33(42)30-10-7-8-17-37-30)20-27(29)34(43)41(32)21-24-13-12-23(19-28(24)36)26-9-5-6-11-31(26)48(45,46)40-35(44)47-18-16-22(2)3/h5-15,17,19-20,22H,4,16,18,21H2,1-3H3,(H,38,42)(H,40,44)
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Article
n/an/a 2.30n/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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50283311
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H34FN5O6S/c1-4-32-39-29-15-14-25(38-33(42)30-10-7-8-17-37-30)20-27(29)34(43)41(32)21-24-13-12-23(19-28(24)36)26-9-5-6-11-31(26)48(45,46)40-35(44)47-18-16-22(2)3/h5-15,17,19-20,22H,4,16,18,21H2,1-3H3,(H,38,42)(H,40,44)
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n/an/a 85n/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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50283311
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H34FN5O6S/c1-4-32-39-29-15-14-25(38-33(42)30-10-7-8-17-37-30)20-27(29)34(43)41(32)21-24-13-12-23(19-28(24)36)26-9-5-6-11-31(26)48(45,46)40-35(44)47-18-16-22(2)3/h5-15,17,19-20,22H,4,16,18,21H2,1-3H3,(H,38,42)(H,40,44)
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Article
n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration against Angiotensin II receptor, type 1 of rat 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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50283311
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H34FN5O6S/c1-4-32-39-29-15-14-25(38-33(42)30-10-7-8-17-37-30)20-27(29)34(43)41(32)21-24-13-12-23(19-28(24)36)26-9-5-6-11-31(26)48(45,46)40-35(44)47-18-16-22(2)3/h5-15,17,19-20,22H,4,16,18,21H2,1-3H3,(H,38,42)(H,40,44)
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Article
n/an/a 37n/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
Angiotensin II receptor


(RAT)
BDBM50283311
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H34FN5O6S/c1-4-32-39-29-15-14-25(38-33(42)30-10-7-8-17-37-30)20-27(29)34(43)41(32)21-24-13-12-23(19-28(24)36)26-9-5-6-11-31(26)48(45,46)40-35(44)47-18-16-22(2)3/h5-15,17,19-20,22H,4,16,18,21H2,1-3H3,(H,38,42)(H,40,44)
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration 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
Angiotensin II AT2


(RAT)
BDBM50283311
PNG
(2-ethyl-3-(3-fluoro-2'-(3-methyl-butyloxycarbonyla...)
Show SMILES CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C35H34FN5O6S/c1-4-32-39-29-15-14-25(38-33(42)30-10-7-8-17-37-30)20-27(29)34(43)41(32)21-24-13-12-23(19-28(24)36)26-9-5-6-11-31(26)48(45,46)40-35(44)47-18-16-22(2)3/h5-15,17,19-20,22H,4,16,18,21H2,1-3H3,(H,38,42)(H,40,44)
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Article
n/an/a 0.630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration of the compound against AT2 receptor of rat 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