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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'cantone' and Initial = 'cl'   
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)
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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047798
PNG
(5-[2-(4-{3-butyl-5-[2-(1H-1,2,3,4-tetraazol-5-yl)b...)
Show SMILES CCCCc1nnc(SCc2ccccc2-c2nnn[nH]2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H27N11S/c1-2-3-12-25-29-34-28(40-18-21-8-4-5-10-23(21)26-30-35-36-31-26)39(25)17-19-13-15-20(16-14-19)22-9-6-7-11-24(22)27-32-37-38-33-27/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,30,31,35,36)(H,32,33,37,38)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047826
PNG
(2-{5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCCCc1nnc(SCc2ccccc2C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H27N7O2S/c1-2-3-12-25-29-32-28(38-18-21-8-4-5-10-23(21)27(36)37)35(25)17-19-13-15-20(16-14-19)22-9-6-7-11-24(22)26-30-33-34-31-26/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047803
PNG
(CHEMBL345459 | N-{4-[3-Butyl-5-(4-methoxy-benzylsu...)
Show SMILES CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H30N4O4S/c1-3-4-9-26-31-32-29(38-19-21-12-16-23(37-2)17-13-21)33(26)18-20-10-14-22(15-11-20)30-27(34)24-7-5-6-8-25(24)28(35)36/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,30,34)(H,35,36)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047789
PNG
(2-{4-[3-butyl-5-(2-carboxybenzylsulfanyl)-4H-1,2,4...)
Show SMILES CCCCc1nnc(SCc2ccccc2C(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H28N4O5S/c1-2-3-12-25-31-32-29(39-18-20-8-4-5-9-22(20)27(35)36)33(25)17-19-13-15-21(16-14-19)30-26(34)23-10-6-7-11-24(23)28(37)38/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,30,34)(H,35,36)(H,37,38)
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047830
PNG
(CHEMBL156934 | N-{4-[3-Butyl-5-(4-methoxy-benzylsu...)
Show SMILES CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1
Show InChI InChI=1S/C29H30N8O2S/c1-3-4-9-26-31-34-29(40-19-21-12-16-23(39-2)17-13-21)37(26)18-20-10-14-22(15-11-20)30-28(38)25-8-6-5-7-24(25)27-32-35-36-33-27/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,30,38)(H,32,33,35,36)
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004404
PNG
(CHEMBL317370 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NC1C[N+]2([O-])CCC1CC2
Show InChI InChI=1S/C39H59N7O9S/c1-39(2,3)55-38(51)45-31(19-27-12-8-5-9-13-27)36(49)44-32(20-29-21-40-25-41-29)37(50)43-30(18-26-10-6-4-7-11-26)34(47)23-56(53,54)24-35(48)42-33-22-46(52)16-14-28(33)15-17-46/h5,8-9,12-13,21,25-26,28,30-34,47H,4,6-7,10-11,14-20,22-24H2,1-3H3,(H,40,41)(H,42,48)(H,43,50)(H,44,49)(H,45,51)/t28?,30-,31-,32-,33?,34-,46?/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50006909
PNG
(2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047799
PNG
(CHEMBL347404 | N-{4-[3-Butyl-5-(methoxycarbonyl-ph...)
Show SMILES CCCCc1nnc(SC(C(=O)OC)c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C30H30N4O5S/c1-3-4-14-25-32-33-30(40-26(29(38)39-2)21-10-6-5-7-11-21)34(25)19-20-15-17-22(18-16-20)31-27(35)23-12-8-9-13-24(23)28(36)37/h5-13,15-18,26H,3-4,14,19H2,1-2H3,(H,31,35)(H,36,37)
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047855
PNG
(5-{4'-[3-Butyl-5-(4-nitro-benzylsulfanyl)-[1,2,4]t...)
Show SMILES CCCCc1nnc(SCc2ccc(cc2)[N+]([O-])=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H26N8O2S/c1-2-3-8-25-28-31-27(38-18-20-11-15-22(16-12-20)35(36)37)34(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-29-32-33-30-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,29,30,32,33)
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n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047879
PNG
(CHEMBL155877 | N-{4-[3-Butyl-5-(4-chloro-benzylsul...)
Show SMILES CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1
Show InChI InChI=1S/C28H27ClN8OS/c1-2-3-8-25-31-34-28(39-18-20-9-13-21(29)14-10-20)37(25)17-19-11-15-22(16-12-19)30-27(38)24-7-5-4-6-23(24)26-32-35-36-33-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,38)(H,32,33,35,36)
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047875
PNG
(CHEMBL347135 | N-{4-[3-Butyl-5-(4-chloro-benzylsul...)
Show SMILES CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C28H27ClN4O3S/c1-2-3-8-25-31-32-28(37-18-20-9-13-21(29)14-10-20)33(25)17-19-11-15-22(16-12-19)30-26(34)23-6-4-5-7-24(23)27(35)36/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,34)(H,35,36)
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047831
PNG
(5-[4'-(3-Benzylsulfanyl-5-butyl-[1,2,4]triazol-4-y...)
Show SMILES CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H27N7S/c1-2-3-13-25-28-31-27(35-19-21-9-5-4-6-10-21)34(25)18-20-14-16-22(17-15-20)23-11-7-8-12-24(23)26-29-32-33-30-26/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,29,30,32,33)
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n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004400
PNG
(CHEMBL93418 | N-[1-{1-Cyclohexylmethyl-2-hydroxy-3...)
Show SMILES CC(C)(C)S(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C37H58N6O9S2/c1-37(2,3)54(50,51)33(21-28-12-8-5-9-13-28)36(47)42-31(22-29-23-38-26-40-29)35(46)41-30(20-27-10-6-4-7-11-27)32(44)24-53(48,49)25-34(45)39-14-15-43-16-18-52-19-17-43/h5,8-9,12-13,23,26-27,30-33,44H,4,6-7,10-11,14-22,24-25H2,1-3H3,(H,38,40)(H,39,45)(H,41,46)(H,42,47)/t30-,31-,32-,33-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047861
PNG
(CHEMBL158133 | N-{4-[3-Butyl-5-(4-methoxy-phenylme...)
Show SMILES CCCCc1nnc(n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1)S(=O)Cc1ccc(OC)cc1
Show InChI InChI=1S/C29H30N4O5S/c1-3-4-9-26-31-32-29(39(37)19-21-12-16-23(38-2)17-13-21)33(26)18-20-10-14-22(15-11-20)30-27(34)24-7-5-6-8-25(24)28(35)36/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,30,34)(H,35,36)
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n/an/a 7.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047868
PNG
(CHEMBL345139 | N-{4-[3-Butyl-5-(4-methyl-benzylsul...)
Show SMILES CCCCc1nnc(SCc2ccc(C)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H30N4O3S/c1-3-4-9-26-31-32-29(37-19-22-12-10-20(2)11-13-22)33(26)18-21-14-16-23(17-15-21)30-27(34)24-7-5-6-8-25(24)28(35)36/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,30,34)(H,35,36)
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n/an/a 7.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047870
PNG
(2-Butyl-5,6-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCCCc1nn2c(C)c(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H26N8/c1-4-5-10-22-28-32-17(3)16(2)25-24(32)31(22)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)23-26-29-30-27-23/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047827
PNG
(5-{4'-[3-Butyl-5-(4-nitro-phenylmethanesulfinyl)-[...)
Show SMILES CCCCc1nnc(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)S(=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H26N8O3S/c1-2-3-8-25-28-31-27(39(38)18-20-11-15-22(16-12-20)35(36)37)34(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-29-32-33-30-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,29,30,32,33)
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n/an/a 8.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004399
PNG
(CHEMBL92384 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C38H59N7O9S/c1-38(2,3)54-37(50)44-31(21-28-12-8-5-9-13-28)35(48)43-32(22-29-23-39-26-41-29)36(49)42-30(20-27-10-6-4-7-11-27)33(46)24-55(51,52)25-34(47)40-14-15-45-16-18-53-19-17-45/h5,8-9,12-13,23,26-27,30-33,46H,4,6-7,10-11,14-22,24-25H2,1-3H3,(H,39,41)(H,40,47)(H,42,49)(H,43,48)(H,44,50)/t30-,31-,32-,33-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047846
PNG
(2-{5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCCCc1nnc(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)S(=O)Cc1ccccc1C(O)=O
Show InChI InChI=1S/C28H27N7O3S/c1-2-3-12-25-29-32-28(39(38)18-21-8-4-5-10-23(21)27(36)37)35(25)17-19-13-15-20(16-14-19)22-9-6-7-11-24(22)26-30-33-34-31-26/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047835
PNG
(5-{4'-[3-Butyl-5-(4-chloro-phenylmethanesulfinyl)-...)
Show SMILES CCCCc1nnc(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)S(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN7OS/c1-2-3-8-25-29-32-27(37(36)18-20-11-15-22(28)16-12-20)35(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-30-33-34-31-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,31,33,34)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047815
PNG
(2-Butyl-6-methyl-5-phenyl-3-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nn2c(C)c(nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H28N8/c1-3-4-14-26-33-37-20(2)27(23-10-6-5-7-11-23)30-29(37)36(26)19-21-15-17-22(18-16-21)24-12-8-9-13-25(24)28-31-34-35-32-28/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,31,32,34,35)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047842
PNG
(CHEMBL156084 | N-{4-[3-Butyl-5-(2-methyl-benzylsul...)
Show SMILES CCCCc1nnc(SCc2ccccc2C)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H30N4O3S/c1-3-4-13-26-31-32-29(37-19-22-10-6-5-9-20(22)2)33(26)18-21-14-16-23(17-15-21)30-27(34)24-11-7-8-12-25(24)28(35)36/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,30,34)(H,35,36)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047812
PNG
(2-{4-[3-butyl-5-(2-methyloxycarbonylbenzylsulfanyl...)
Show SMILES CCCCc1nnc(SCc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C30H30N4O5S/c1-3-4-13-26-32-33-30(40-19-21-9-5-6-10-23(21)29(38)39-2)34(26)18-20-14-16-22(17-15-20)31-27(35)24-11-7-8-12-25(24)28(36)37/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,31,35)(H,36,37)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047844
PNG
(2-{4-[3-butyl-5-(3-carboxybenzylsulfanyl)-4H-1,2,4...)
Show SMILES CCCCc1nnc(SCc2cccc(c2)C(O)=O)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H28N4O5S/c1-2-3-11-25-31-32-29(39-18-20-7-6-8-21(16-20)27(35)36)33(25)17-19-12-14-22(15-13-19)30-26(34)23-9-4-5-10-24(23)28(37)38/h4-10,12-16H,2-3,11,17-18H2,1H3,(H,30,34)(H,35,36)(H,37,38)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047847
PNG
(CHEMBL352235 | N-[4-(3-Benzylsulfanyl-5-butyl-[1,2...)
Show SMILES CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C28H28N4O3S/c1-2-3-13-25-30-31-28(36-19-21-9-5-4-6-10-21)32(25)18-20-14-16-22(17-15-20)29-26(33)23-11-7-8-12-24(23)27(34)35/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,29,33)(H,34,35)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047805
PNG
(5-{4'-[3-Butyl-5-(2-methyl-benzylsulfanyl)-[1,2,4]...)
Show SMILES CCCCc1nnc(SCc2ccccc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29N7S/c1-3-4-13-26-29-32-28(36-19-23-10-6-5-9-20(23)2)35(26)18-21-14-16-22(17-15-21)24-11-7-8-12-25(24)27-30-33-34-31-27/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,30,31,33,34)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004411
PNG
(CHEMBL96127 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C38H59N7O8S/c1-38(2,3)53-37(50)44-31(21-28-12-8-5-9-13-28)35(48)43-32(22-29-23-39-26-41-29)36(49)42-30(20-27-10-6-4-7-11-27)33(46)24-54(51)25-34(47)40-14-15-45-16-18-52-19-17-45/h5,8-9,12-13,23,26-27,30-33,46H,4,6-7,10-11,14-22,24-25H2,1-3H3,(H,39,41)(H,40,47)(H,42,49)(H,43,48)(H,44,50)/t30-,31-,32-,33-,54?/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity by displacement of [125I]-Sar1-Ile8-A II at the rat adrenal cortical aorta Angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047863
PNG
(CHEMBL157690 | N-{4-[3-Butyl-5-(carboxy-phenyl-met...)
Show SMILES CCCCc1nnc(SC(C(O)=O)c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H28N4O5S/c1-2-3-13-24-31-32-29(39-25(28(37)38)20-9-5-4-6-10-20)33(24)18-19-14-16-21(17-15-19)30-26(34)22-11-7-8-12-23(22)27(35)36/h4-12,14-17,25H,2-3,13,18H2,1H3,(H,30,34)(H,35,36)(H,37,38)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004409
PNG
(CHEMBL320686 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CN1CCN(CC1)C(=O)CS(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H57N7O8S/c1-37(2,3)52-36(49)42-30(20-27-13-9-6-10-14-27)34(47)41-31(21-28-22-38-25-39-28)35(48)40-29(19-26-11-7-5-8-12-26)32(45)23-53(50,51)24-33(46)44-17-15-43(4)16-18-44/h6,9-10,13-14,22,25-26,29-32,45H,5,7-8,11-12,15-21,23-24H2,1-4H3,(H,38,39)(H,40,48)(H,41,47)(H,42,49)/t29-,30-,31-,32-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047791
PNG
(CHEMBL157524 | N-{4-[3-Butyl-5-(3-methoxy-benzylsu...)
Show SMILES CCCCc1nnc(SCc2cccc(OC)c2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H30N4O4S/c1-3-4-12-26-31-32-29(38-19-21-8-7-9-23(17-21)37-2)33(26)18-20-13-15-22(16-14-20)30-27(34)24-10-5-6-11-25(24)28(35)36/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,30,34)(H,35,36)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047814
PNG
(4-{5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCCCc1nnc(SCc2ccc(cc2)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H27N7O2S/c1-2-3-8-25-29-32-28(38-18-20-11-15-22(16-12-20)27(36)37)35(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-30-33-34-31-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,36,37)(H,30,31,33,34)
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047856
PNG
(5-{4'-[3-Butyl-5-(4-chloro-benzylsulfanyl)-[1,2,4]...)
Show SMILES CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H26ClN7S/c1-2-3-8-25-29-32-27(36-18-20-11-15-22(28)16-12-20)35(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-30-33-34-31-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,31,33,34)
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047822
PNG
(CHEMBL157620 | N-{4-[3-Butyl-5-(3-chloro-benzylsul...)
Show SMILES CCCCc1nnc(SCc2cccc(Cl)c2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C28H27ClN4O3S/c1-2-3-11-25-31-32-28(37-18-20-7-6-8-21(29)16-20)33(25)17-19-12-14-22(15-13-19)30-26(34)23-9-4-5-10-24(23)27(35)36/h4-10,12-16H,2-3,11,17-18H2,1H3,(H,30,34)(H,35,36)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047806
PNG
(Benzyl-{5-butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-...)
Show SMILES CCCCc1nnc(NCc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H28N8/c1-2-3-13-25-29-32-27(28-18-20-9-5-4-6-10-20)35(25)19-21-14-16-22(17-15-21)23-11-7-8-12-24(23)26-30-33-34-31-26/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,28,32)(H,30,31,33,34)
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047840
PNG
(CHEMBL155554 | N-{4-[3-Butyl-5-(4-methoxy-phenylme...)
Show SMILES CCCCc1nnc(n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1)S(=O)Cc1ccc(OC)cc1
Show InChI InChI=1S/C29H30N8O3S/c1-3-4-9-26-31-34-29(41(39)19-21-12-16-23(40-2)17-13-21)37(26)18-20-10-14-22(15-11-20)30-28(38)25-8-6-5-7-24(25)27-32-35-36-33-27/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,30,38)(H,32,33,35,36)
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004405
PNG
(CHEMBL91839 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CN1CCN(CC1)C(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H57N7O6S/c1-37(2,3)50-36(49)42-30(20-27-13-9-6-10-14-27)34(47)41-31(21-28-22-38-25-39-28)35(48)40-29(19-26-11-7-5-8-12-26)32(45)23-51-24-33(46)44-17-15-43(4)16-18-44/h6,9-10,13-14,22,25-26,29-32,45H,5,7-8,11-12,15-21,23-24H2,1-4H3,(H,38,39)(H,40,48)(H,41,47)(H,42,49)/t29-,30-,31-,32-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004398
PNG
(CHEMBL405140 | {1-[1-{3-[(1-Aza-bicyclo[2.2.2]oct-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C39H59N7O6S/c1-39(2,3)52-38(51)45-31(19-27-12-8-5-9-13-27)36(49)44-32(20-29-21-40-25-41-29)37(50)43-30(18-26-10-6-4-7-11-26)34(47)23-53-24-35(48)42-33-22-46-16-14-28(33)15-17-46/h5,8-9,12-13,21,25-26,28,30-34,47H,4,6-7,10-11,14-20,22-24H2,1-3H3,(H,40,41)(H,42,48)(H,43,50)(H,44,49)(H,45,51)/t30-,31-,32-,33?,34-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047793
PNG
(2-{4-[3-butyl-5-(3-methyloxycarbonylbenzylsulfanyl...)
Show SMILES CCCCc1nnc(SCc2cccc(c2)C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C30H30N4O5S/c1-3-4-12-26-32-33-30(40-19-21-8-7-9-22(17-21)29(38)39-2)34(26)18-20-13-15-23(16-14-20)31-27(35)24-10-5-6-11-25(24)28(36)37/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,31,35)(H,36,37)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047828
PNG
(2-Butyl-5-phenyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn2cc(nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H26N8/c1-2-3-13-26-32-36-19-25(22-9-5-4-6-10-22)29-28(36)35(26)18-20-14-16-21(17-15-20)23-11-7-8-12-24(23)27-30-33-34-31-27/h4-12,14-17,19H,2-3,13,18H2,1H3,(H,30,31,33,34)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047811
PNG
(CHEMBL423233 | N-{4-[3-Butyl-5-(2-chloro-benzylsul...)
Show SMILES CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C28H27ClN4O3S/c1-2-3-12-25-31-32-28(37-18-20-8-4-7-11-24(20)29)33(25)17-19-13-15-21(16-14-19)30-26(34)22-9-5-6-10-23(22)27(35)36/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,30,34)(H,35,36)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047824
PNG
(5-{4'-[3-Butyl-5-(4-methoxy-benzylsulfanyl)-[1,2,4...)
Show SMILES CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29N7OS/c1-3-4-9-26-29-32-28(37-19-21-12-16-23(36-2)17-13-21)35(26)18-20-10-14-22(15-11-20)24-7-5-6-8-25(24)27-30-33-34-31-27/h5-8,10-17H,3-4,9,18-19H2,1-2H3,(H,30,31,33,34)
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004413
PNG
(CHEMBL433291 | tert-butyl 3-[1-(1-cyclohexylmethyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCc1ccncc1
Show InChI InChI=1S/C38H52N10O5S/c1-38(2,3)53-37(52)44-31(21-28-12-8-5-9-13-28)34(50)43-32(22-29-23-40-25-41-29)35(51)42-30(20-27-10-6-4-7-11-27)33(49)24-54-36-45-46-47-48(36)19-16-26-14-17-39-18-15-26/h5,8-9,12-15,17-18,23,25,27,30-33,49H,4,6-7,10-11,16,19-22,24H2,1-3H3,(H,40,41)(H,42,51)(H,43,50)(H,44,52)/t30-,31-,32-,33-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004413
PNG
(CHEMBL433291 | tert-butyl 3-[1-(1-cyclohexylmethyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCc1ccncc1
Show InChI InChI=1S/C38H52N10O5S/c1-38(2,3)53-37(52)44-31(21-28-12-8-5-9-13-28)34(50)43-32(22-29-23-40-25-41-29)35(51)42-30(20-27-10-6-4-7-11-27)33(49)24-54-36-45-46-47-48(36)19-16-26-14-17-39-18-15-26/h5,8-9,12-15,17-18,23,25,27,30-33,49H,4,6-7,10-11,16,19-22,24H2,1-3H3,(H,40,41)(H,42,51)(H,43,50)(H,44,52)/t30-,31-,32-,33-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047869
PNG
(CHEMBL155984 | N-{4-[3-Butyl-5-(3-methyl-benzylsul...)
Show SMILES CCCCc1nnc(SCc2cccc(C)c2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H30N4O3S/c1-3-4-12-26-31-32-29(37-19-22-9-7-8-20(2)17-22)33(26)18-21-13-15-23(16-14-21)30-27(34)24-10-5-6-11-25(24)28(35)36/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,30,34)(H,35,36)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006421
PNG
(CHEMBL67542 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H47N9O5S/c1-32(2,3)46-31(45)37-25(16-22-13-9-6-10-14-22)28(43)36-26(17-23-18-33-20-34-23)29(44)35-24(15-21-11-7-5-8-12-21)27(42)19-47-30-38-39-40-41(30)4/h6,9-10,13-14,18,20-21,24-27,42H,5,7-8,11-12,15-17,19H2,1-4H3,(H,33,34)(H,35,44)(H,36,43)(H,37,45)/t24-,25-,26-,27-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006418
PNG
(CHEMBL67431 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCc1ccc(O)cc1
Show InChI InChI=1S/C39H53N9O6S/c1-39(2,3)54-38(53)44-32(21-28-12-8-5-9-13-28)35(51)43-33(22-29-23-40-25-41-29)36(52)42-31(20-27-10-6-4-7-11-27)34(50)24-55-37-45-46-47-48(37)19-18-26-14-16-30(49)17-15-26/h5,8-9,12-17,23,25,27,31-34,49-50H,4,6-7,10-11,18-22,24H2,1-3H3,(H,40,41)(H,42,52)(H,43,51)(H,44,53)/t31-,32-,33-,34-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50047832
PNG
(CHEMBL154027 | N-{4-[3-Butyl-5-(4-chloro-phenylmet...)
Show SMILES CCCCc1nnc(n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1)S(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H27ClN8O2S/c1-2-3-8-25-31-34-28(40(39)18-20-9-13-21(29)14-10-20)37(25)17-19-11-15-22(16-12-19)30-27(38)24-7-5-4-6-23(24)26-32-35-36-33-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,38)(H,32,33,35,36)
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


Article DOI: 10.1021/jm00057a009
BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004402
PNG
(CHEMBL420633 | {1-[1-{3-[(1-Benzyl-piperidin-4-ylc...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C44H63N7O8S/c1-44(2,3)59-43(56)50-37(24-32-15-9-5-10-16-32)41(54)49-38(25-35-26-45-30-46-35)42(55)48-36(23-31-13-7-4-8-14-31)39(52)28-60(57,58)29-40(53)47-34-19-21-51(22-20-34)27-33-17-11-6-12-18-33/h5-6,9-12,15-18,26,30-31,34,36-39,52H,4,7-8,13-14,19-25,27-29H2,1-3H3,(H,45,46)(H,47,53)(H,48,55)(H,49,54)(H,50,56)/t36-,37-,38-,39-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
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