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BDBM50049204 2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbonylaminosulphonyl)-biphenyl-4-ylmethyl)-6-(N-isopropyl-N-methyl-aminocarbonylamino)-3H-quinazolin-4-one::4'-[2-Ethyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-3'-fluoro-biphenyl-2-sulfonic acid cyclopropylethyloxycarbonylamide(L-163579)::CHEMBL73876::L-163579

SMILES: CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1

InChI Key: InChIKey=RGVQQWBCJAHMTA-UHFFFAOYSA-N

Data: 8 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50049204   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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n/an/a 0.570n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 1


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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n/an/a 8.10n/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
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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n/an/a 0.570n/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 (AT-1) type-1


(RAT)
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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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 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 AT2


(RAT)
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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n/an/a 0.770n/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
Angiotensin II AT2


(RAT)
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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n/an/a 0.390n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity at Angiotensin II type 2 receptor.


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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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 receptor


(Homo sapiens (Human))
BDBM50049204
PNG
(2-ethyl-3-(3-fluoro-2'-(2-cyclopropylethyloxycarbo...)
Show SMILES CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
Show InChI InChI=1S/C34H38FN5O6S/c1-5-31-37-29-15-14-25(36-33(42)39(4)21(2)3)19-27(29)32(41)40(31)20-24-13-12-23(18-28(24)35)26-8-6-7-9-30(26)47(44,45)38-34(43)46-17-16-22-10-11-22/h6-9,12-15,18-19,21-22H,5,10-11,16-17,20H2,1-4H3,(H,36,42)(H,38,43)
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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