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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'smith' and Initial = 'rd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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0.640n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin II receptor, type 1 in rat adrenal membrane


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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50241491
PNG
(2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-27-24(15-16-40-27)30(38)39-3)17-20-11-13-21(14-12-20)22-8-6-7-9-23(22)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
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0.900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards Angiotensin II receptor, type 1 in rabbit aorta


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))
BDBM50049210
PNG
(CHEMBL348126 | N-{4-[2-Butyl-6-(3-methyl-1-pentyl-...)
Show SMILES CCCCCN(C(=O)NC)c1ccc2nc(CCCC)n(Cc3ccc(NC(=O)c4c(Cl)ccc(Cl)c4C(O)=O)cc3)c2c1
Show InChI InChI=1S/C33H37Cl2N5O4/c1-4-6-8-18-39(33(44)36-3)23-14-17-26-27(19-23)40(28(38-26)9-7-5-2)20-21-10-12-22(13-11-21)37-31(41)29-24(34)15-16-25(35)30(29)32(42)43/h10-17,19H,4-9,18,20H2,1-3H3,(H,36,44)(H,37,41)(H,42,43)
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20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ki value was evaluated against 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))
BDBM50035429
PNG
(4'-[2-Butyl-6-(3-cyclohexyl-ureido)-benzoimidazol-...)
Show SMILES CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
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29n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ki value was evaluated against 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))
BDBM50035429
PNG
(4'-[2-Butyl-6-(3-cyclohexyl-ureido)-benzoimidazol-...)
Show SMILES CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
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480n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ki value was evaluated against Angiotensin II receptor, type 2


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))
BDBM50049210
PNG
(CHEMBL348126 | N-{4-[2-Butyl-6-(3-methyl-1-pentyl-...)
Show SMILES CCCCCN(C(=O)NC)c1ccc2nc(CCCC)n(Cc3ccc(NC(=O)c4c(Cl)ccc(Cl)c4C(O)=O)cc3)c2c1
Show InChI InChI=1S/C33H37Cl2N5O4/c1-4-6-8-18-39(33(44)36-3)23-14-17-26-27(19-23)40(28(38-26)9-7-5-2)20-21-10-12-22(13-11-21)37-31(41)29-24(34)15-16-25(35)30(29)32(42)43/h10-17,19H,4-9,18,20H2,1-3H3,(H,36,44)(H,37,41)(H,42,43)
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730n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Ki value was evaluated against Angiotensin II receptor, type 2


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))
BDBM50049199
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H34N4O3S/c1-4-33-39-35-25(2)23-26(3)38-36(35)41(33)24-27-19-21-28(22-20-27)31-17-11-12-18-32(31)45(43,44)40-37(42)34(29-13-7-5-8-14-29)30-15-9-6-10-16-30/h5-23,34H,4,24H2,1-3H3,(H,40,42)
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n/an/a 0.0500n/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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50041969
PNG
(3-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H34N8O2/c1-5-6-11-28-33-27-17-16-23(32-31(41)38(4)20(2)3)18-26(27)30(40)39(28)19-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29-34-36-37-35-29/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,41)(H,34,35,36,37)
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n/an/a 0.100n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Angiotensin II receptor, type 1 in rabbit aorta


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))
BDBM50030711
PNG
(CHEMBL338027 | L-163958 | Pentanoic acid {4-bromo-...)
Show SMILES CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C33H37BrFN5O6S/c1-6-8-13-30(41)36-23-16-17-25(34)27(19-23)40-32(43)39(29(7-2)37-40)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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n/an/a 0.120n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 2


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))
BDBM50030711
PNG
(CHEMBL338027 | L-163958 | Pentanoic acid {4-bromo-...)
Show SMILES CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
Show InChI InChI=1S/C33H37BrFN5O6S/c1-6-8-13-30(41)36-23-16-17-25(34)27(19-23)40-32(43)39(29(7-2)37-40)20-22-15-14-21(18-26(22)35)24-11-9-10-12-28(24)47(44,45)38-31(42)46-33(3,4)5/h9-12,14-19H,6-8,13,20H2,1-5H3,(H,36,41)(H,38,42)
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n/an/a 0.200n/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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50038189
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H28N4O3S/c1-4-27-32-28-20(2)18-21(3)31-29(28)34(27)19-22-14-16-23(17-15-22)25-12-8-9-13-26(25)38(36,37)33-30(35)24-10-6-5-7-11-24/h5-18H,4,19H2,1-3H3,(H,33,35)
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n/an/a 0.200n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Angiotensin II receptor, type 1 in rabbit aorta


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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50049181
PNG
(2-Butyl-3-(2'-(butyloxycarbonylaminosulphonyl)-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)cc1
Show InChI InChI=1S/C35H43N5O6S/c1-6-8-14-32-37-30-20-19-27(36-34(42)39(5)24(3)4)22-29(30)33(41)40(32)23-25-15-17-26(18-16-25)28-12-10-11-13-31(28)47(44,45)38-35(43)46-21-9-7-2/h10-13,15-20,22,24H,6-9,14,21,23H2,1-5H3,(H,36,42)(H,38,43)
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n/an/a 0.240n/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 AT2


(RAT)
BDBM50032353
PNG
(CHEMBL100119 | N-{3-[5-Ethyl-3-(3-fluoro-2'-isopen...)
Show SMILES CCCC(=O)N(CCC(=O)c1c(CC)nc(CCC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C)c1cccnc1
Show InChI InChI=1S/C39H48FN5O6S/c1-6-12-36-42-33(8-3)38(34(46)19-22-44(37(47)13-7-2)30-14-11-21-41-25-30)45(36)26-29-18-17-28(24-32(29)40)31-15-9-10-16-35(31)52(49,50)43-39(48)51-23-20-27(4)5/h9-11,14-18,21,24-25,27H,6-8,12-13,19-20,22-23,26H2,1-5H3,(H,43,48)
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n/an/a 0.280n/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 AT2


(RAT)
BDBM50049203
PNG
(CHEMBL160494 | L-163017 | N-[7-Methyl-2-propyl-3-(...)
Show SMILES CCCc1nc2c(C)c(NC(=O)c3ccccc3)cnc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C36H39N5O5S/c1-5-11-32-39-33-25(4)30(38-35(42)28-12-7-6-8-13-28)22-37-34(33)41(32)23-26-16-18-27(19-17-26)29-14-9-10-15-31(29)47(44,45)40-36(43)46-21-20-24(2)3/h6-10,12-19,22,24H,5,11,20-21,23H2,1-4H3,(H,38,42)(H,40,43)
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n/an/a 0.290n/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


(Homo sapiens (Human))
BDBM50031491
PNG
(2-propyl-4-(methythio)-1-[[[2'-[(propylamino)carbo...)
Show SMILES CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(SC)c2C(O)=O)cc1
Show InChI InChI=1S/C25H30N4O5S2/c1-4-8-21-27-23(35-3)22(24(30)31)29(21)16-17-11-13-18(14-12-17)19-9-6-7-10-20(19)36(33,34)28-25(32)26-15-5-2/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,30,31)(H2,26,28,32)
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n/an/a 0.300n/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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50049214
PNG
(2-Ethyl-5,7-dimethyl-3-[5'-propyl-2'-(1H-tetrazol-...)
Show SMILES CCCc1ccc(-c2nnn[nH]2)c(c1)-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C27H29N7/c1-5-7-19-10-13-22(26-30-32-33-31-26)23(15-19)21-11-8-20(9-12-21)16-34-24(6-2)29-25-17(3)14-18(4)28-27(25)34/h8-15H,5-7,16H2,1-4H3,(H,30,31,32,33)
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n/an/a 0.300n/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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50009718
PNG
(2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Angiotensin II receptor, type 1 in rabbit aorta


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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50049185
PNG
(4'-[2-Butyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-...)
Show SMILES CCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)OCc3ccccc3)c(CCC)nc2c1C
Show InChI InChI=1S/C35H37N5O5S/c1-4-11-31-38-33-24(3)29(37-32(41)12-5-2)21-36-34(33)40(31)22-25-17-19-27(20-18-25)28-15-9-10-16-30(28)46(43,44)39-35(42)45-23-26-13-7-6-8-14-26/h6-10,13-21H,4-5,11-12,22-23H2,1-3H3,(H,37,41)(H,39,42)
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n/an/a 0.330n/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 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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50035451
PNG
(2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H33F3N4O5S/c1-5-6-15-27-35-38(25-13-9-8-12-24(25)31(32,33)34)29(40)37(27)20-21-16-18-22(19-17-21)23-11-7-10-14-26(23)44(41,42)36-28(39)43-30(2,3)4/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,36,39)
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n/an/a 0.450n/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 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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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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50049198
PNG
(3-{2-Butyl-7-methyl-3-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCCCc1nc2c(C)c(NC(=O)N(c3ccccc3)c3ccccc3)cnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C38H35N9O/c1-3-4-19-34-41-35-26(2)33(40-38(48)47(29-13-7-5-8-14-29)30-15-9-6-10-16-30)24-39-37(35)46(34)25-27-20-22-28(23-21-27)31-17-11-12-18-32(31)36-42-44-45-43-36/h5-18,20-24H,3-4,19,25H2,1-2H3,(H,40,48)(H,42,43,44,45)
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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))
BDBM50049182
PNG
((S)-5-Benzyloxy-2-diphenylacetyl-6-methoxy-1,2,3,4...)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Angiotensin II receptor, type 2


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))
BDBM50049206
PNG
(5-Ethyl-3-(3-fluoro-2'-isopentyloxycarbaronylsulfa...)
Show SMILES CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C42H44FN3O7S/c1-5-14-38-44-36(6-2)39(41(48)53-27-32-17-10-11-19-34(32)40(47)29-15-8-7-9-16-29)46(38)26-31-22-21-30(25-35(31)43)33-18-12-13-20-37(33)54(50,51)45-42(49)52-24-23-28(3)4/h7-13,15-22,25,28H,5-6,14,23-24,26-27H2,1-4H3,(H,45,49)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 2


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 AT2


(RAT)
BDBM82433
PNG
(CHEMBL302102 | L-159,689 | L-159689 | N-Pentyl-N-[...)
Show SMILES CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-11-23-43(36(45)28-13-7-6-8-14-28)29-21-22-33-32(24-29)37(46)44(34(38-33)12-4-2)25-26-17-19-27(20-18-26)30-15-9-10-16-31(30)35-39-41-42-40-35/h6-10,13-22,24H,3-5,11-12,23,25H2,1-2H3,(H,39,40,41,42)
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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 AT2


(RAT)
BDBM50049185
PNG
(4'-[2-Butyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-...)
Show SMILES CCCC(=O)Nc1cnc2n(Cc3ccc(cc3)-c3ccccc3S(=O)(=O)NC(=O)OCc3ccccc3)c(CCC)nc2c1C
Show InChI InChI=1S/C35H37N5O5S/c1-4-11-31-38-33-24(3)29(37-32(41)12-5-2)21-36-34(33)40(31)22-25-17-19-27(20-18-25)28-15-9-10-16-30(28)46(43,44)39-35(42)45-23-26-13-7-6-8-14-26/h6-10,13-21H,4-5,11-12,22-23H2,1-3H3,(H,37,41)(H,39,42)
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n/an/a 0.940n/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


(Homo sapiens (Human))
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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n/an/a 1n/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))
BDBM50032362
PNG
(3-(2'-Isopentyloxycarbonylsulfamoyl-3-fluoro-biphe...)
Show SMILES CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
Show InChI InChI=1S/C29H36FN3O6S/c1-6-10-26-31-24(7-2)27(28(34)38-5)33(26)18-21-14-13-20(17-23(21)30)22-11-8-9-12-25(22)40(36,37)32-29(35)39-16-15-19(3)4/h8-9,11-14,17,19H,6-7,10,15-16,18H2,1-5H3,(H,32,35)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 2


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))
BDBM50049189
PNG
(3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-y...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
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n/an/a 1.10n/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
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027132
PNG
(1-[5-Benzoylamino-6-(3,4-dimethoxy-phenyl)-4-oxo-h...)
Show SMILES COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(O)=O)cc1OC
Show InChI InChI=1S/C26H30N2O7/c1-34-22-12-10-17(16-23(22)35-2)15-19(27-25(31)18-7-4-3-5-8-18)21(29)11-13-24(30)28-14-6-9-20(28)26(32)33/h3-5,7-8,10,12,16,19-20H,6,9,11,13-15H2,1-2H3,(H,27,31)(H,32,33)/t19?,20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50369183
PNG
(CHEMBL290214 | L-163491)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C36H40N4O5S/c1-6-8-18-45-36(41)39-46(42,43)32-17-14-28(20-27-10-9-11-30(21-27)44-5)22-31(32)29-15-12-26(13-16-29)23-40-33(7-2)38-34-24(3)19-25(4)37-35(34)40/h9-17,19,21-22H,6-8,18,20,23H2,1-5H3,(H,39,41)
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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
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027142
PNG
(1-{5-[(Furan-2-carbonyl)-amino]-4-oxo-6-phenyl-hex...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
Show InChI InChI=1S/C22H24N2O6/c25-18(10-11-20(26)24-12-4-8-17(24)22(28)29)16(14-15-6-2-1-3-7-15)23-21(27)19-9-5-13-30-19/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,23,27)(H,28,29)/t16?,17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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n/an/a 1.5n/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 type 1a (AT-1a) receptor


(RABBIT)
BDBM82433
PNG
(CHEMBL302102 | L-159,689 | L-159689 | N-Pentyl-N-[...)
Show SMILES CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-11-23-43(36(45)28-13-7-6-8-14-28)29-21-22-33-32(24-29)37(46)44(34(38-33)12-4-2)25-26-17-19-27(20-18-26)30-15-9-10-16-31(30)35-39-41-42-40-35/h6-10,13-22,24H,3-5,11-12,23,25H2,1-2H3,(H,39,40,41,42)
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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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50049183
PNG
(2,7-Diethyl-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES CCc1nc2c(CC)cn(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)n2n1
Show InChI InChI=1S/C22H22N8/c1-3-16-14-29(30-22(16)23-20(4-2)26-30)13-15-9-11-17(12-10-15)18-7-5-6-8-19(18)21-24-27-28-25-21/h5-12,14H,3-4,13H2,1-2H3,(H,24,25,27,28)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against angiotensin II type 1 rabbit aorta


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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50049179
PNG
(4'-(4-Ethyl-5-formyl-2-propyl-imidazol-1-ylmethyl)...)
Show SMILES CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C29H29N3O4S/c1-3-10-28-30-25(4-2)26(20-33)32(28)19-21-15-17-22(18-16-21)24-13-8-9-14-27(24)37(35,36)31-29(34)23-11-6-5-7-12-23/h5-9,11-18,20H,3-4,10,19H2,1-2H3,(H,31,34)
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n/an/a 1.90n/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 AT2


(RAT)
BDBM50049214
PNG
(2-Ethyl-5,7-dimethyl-3-[5'-propyl-2'-(1H-tetrazol-...)
Show SMILES CCCc1ccc(-c2nnn[nH]2)c(c1)-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C27H29N7/c1-5-7-19-10-13-22(26-30-32-33-31-26)23(15-19)21-11-8-20(9-12-21)16-34-24(6-2)29-25-17(3)14-18(4)28-27(25)34/h8-15H,5-7,16H2,1-4H3,(H,30,31,32,33)
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n/an/a 2n/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


(Homo sapiens (Human))
BDBM50049189
PNG
(3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-y...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
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n/an/a 2n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 2


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 AT2


(RAT)
BDBM50049181
PNG
(2-Butyl-3-(2'-(butyloxycarbonylaminosulphonyl)-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)cc1
Show InChI InChI=1S/C35H43N5O6S/c1-6-8-14-32-37-30-20-19-27(36-34(42)39(5)24(3)4)22-29(30)33(41)40(32)23-25-15-17-26(18-16-25)28-12-10-11-13-31(28)47(44,45)38-35(43)46-21-9-7-2/h10-13,15-20,22,24H,6-9,14,21,23H2,1-5H3,(H,36,42)(H,38,43)
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n/an/a 2.40n/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 type 1a (AT-1a) receptor


(RABBIT)
BDBM50041963
PNG
(CHEMBL24861 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N(C)C(=O)OCC(C)C
Show InChI InChI=1S/C32H35N7O3/c1-5-6-11-29-33-28-17-16-24(38(4)32(41)42-20-21(2)3)18-27(28)31(40)39(29)19-22-12-14-23(15-13-22)25-9-7-8-10-26(25)30-34-36-37-35-30/h7-10,12-18,21H,5-6,11,19-20H2,1-4H3,(H,34,35,36,37)
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n/an/a 2.5n/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 AT2


(RAT)
BDBM50032364
PNG
(4'-(5-Acetyl-4-ethyl-2-propyl-imidazol-1-ylmethyl)...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(F)c1
Show InChI InChI=1S/C28H34FN3O5S/c1-5-8-16-37-28(34)31-38(35,36)25-13-10-9-12-22(25)20-14-15-21(23(29)17-20)18-32-26(11-6-2)30-24(7-3)27(32)19(4)33/h9-10,12-15,17H,5-8,11,16,18H2,1-4H3,(H,31,34)
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n/an/a 3n/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
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 25: 996-9 (1982)


Article DOI: 10.1021/jm00350a023
BindingDB Entry DOI: 10.7270/Q2154G1D
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50049187
PNG
(5,7-Diethyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES CCc1cc2N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)C(=O)CCc2c(CC)n1
Show InChI InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 3.80n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against Angiotensin II receptor, type 1 in guinea pig adrenal membrane


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
3D
3D Structure (crystal)
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049193
PNG
(9,28-dipropyl-13-sulfurdioxo-1,14,22,27-tetraazape...)
Show SMILES CCCc1ccc2c(c1)-c1ccc(Cn3c(CCC)nc4ccc(NCCCCCCC(=O)NS2(=O)=O)cc4c3=O)cc1
Show InChI InChI=1S/C34H40N4O4S/c1-3-9-24-14-19-31-28(21-24)26-15-12-25(13-16-26)23-38-32(10-4-2)36-30-18-17-27(22-29(30)34(38)40)35-20-8-6-5-7-11-33(39)37-43(31,41)42/h12-19,21-22,35H,3-11,20,23H2,1-2H3,(H,37,39)
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n/an/a 4n/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))
BDBM50049178
PNG
(2-Propyl-5-(4-pyridin-2-yl-piperazin-1-ylmethyl)-3...)
Show SMILES CCCc1nc(CN2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H33N9O2/c1-2-7-28-33-26(21-38-16-18-39(19-17-38)27-10-5-6-15-32-27)29(31(41)42)40(28)20-22-11-13-23(14-12-22)24-8-3-4-9-25(24)30-34-36-37-35-30/h3-6,8-15H,2,7,16-21H2,1H3,(H,41,42)(H,34,35,36,37)
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n/an/a 4.20n/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
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027476
PNG
(1-[2-(3-Benzoylamino-2-oxo-4-phenyl-butoxy)-acetyl...)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)COCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c27-21(15-32-16-22(28)26-13-7-12-20(26)24(30)31)19(14-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 25: 996-9 (1982)


Article DOI: 10.1021/jm00350a023
BindingDB Entry DOI: 10.7270/Q2154G1D
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027147
PNG
(1-[5-Benzoylamino-6-(4-hydroxy-phenyl)-4-oxo-hexan...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c27-18-10-8-16(9-11-18)15-19(25-23(30)17-5-2-1-3-6-17)21(28)12-13-22(29)26-14-4-7-20(26)24(31)32/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,25,30)(H,31,32)/t19?,20-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049197
PNG
(CHEMBL159004 | [5-(2-Ethyl-5,7-dimethyl-imidazo[4,...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2n(ccc2c1)C(=O)c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H24N8O/c1-4-23-29-24-16(2)12-17(3)28-26(24)35(23)15-18-8-9-22-19(13-18)10-11-34(22)27(36)21-7-5-6-20(14-21)25-30-32-33-31-25/h5-14H,4,15H2,1-3H3,(H,30,31,32,33)
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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
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047126
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H25N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,27,28,29,30)
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n/an/a 5n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against Angiotensin II receptor, type 1 in guinea pig adrenal membrane


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
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