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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'major' and Initial = 'js'   
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
Renin


(Homo sapiens (Human))
BDBM50010904
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C
Show InChI InChI=1/C40H56N8O3/c1-5-7-20-43-39(50)31(27(3)4)23-36(49)34(22-28-14-9-8-10-15-28)45-40(51)32(21-29-16-11-18-41-24-29)37-46-47-38-33(13-6-2)44-35(26-48(37)38)30-17-12-19-42-25-30/h11-12,16-19,24-28,31-32,34,36,49H,5-10,13-15,20-23H2,1-4H3,(H,43,50)(H,45,51)
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n/an/a 0.200n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012938
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCCCO)-c1cccnc1
Show InChI InChI=1/C40H56N8O4/c1-4-12-33-38-47-46-37(48(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-6-5-7-14-28)36(50)23-31(27(2)3)39(51)43-19-8-9-20-49/h10-11,15-18,24-28,31-32,34,36,49-50H,4-9,12-14,19-23H2,1-3H3,(H,43,51)(H,45,52)
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n/an/a 0.300n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012937
PNG
(CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1
Show InChI InChI=1/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)
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n/an/a 0.300n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012946
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCOCC1)-c1cccnc1
Show InChI InChI=1/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54)
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n/an/a 0.400n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012939
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCc1ccccn1)-c1cccnc1
Show InChI InChI=1/C42H53N9O3/c1-4-12-35-40-50-49-39(51(40)27-37(47-35)31-16-11-19-44-25-31)34(21-30-15-10-18-43-24-30)42(54)48-36(22-29-13-6-5-7-14-29)38(52)23-33(28(2)3)41(53)46-26-32-17-8-9-20-45-32/h8-11,15-20,24-25,27-29,33-34,36,38,52H,4-7,12-14,21-23,26H2,1-3H3,(H,46,53)(H,48,54)
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n/an/a 0.600n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012944
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN1CCNCC1)-c1cccnc1
Show InChI InChI=1/C42H60N10O3/c1-4-10-35-40-50-49-39(52(40)28-37(47-35)32-14-9-16-45-27-32)34(23-31-13-8-15-44-26-31)42(55)48-36(24-30-11-6-5-7-12-30)38(53)25-33(29(2)3)41(54)46-19-22-51-20-17-43-18-21-51/h8-9,13-16,26-30,33-34,36,38,43,53H,4-7,10-12,17-25H2,1-3H3,(H,46,54)(H,48,55)
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n/an/a 0.600n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012922
PNG
(4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic ...)
Show SMILES CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1/C46H59N9O4/c1-30(2)22-38-44-54-53-43(55(44)29-40(50-38)34-17-9-6-10-18-34)36(24-33-16-13-20-47-27-33)45(58)52-42(57)26-41(56)37(25-32-14-7-5-8-15-32)51-46(59)39(23-31(3)4)49-28-35-19-11-12-21-48-35/h6,9-13,16-21,27,29-32,36-37,39,41,49,56H,5,7-8,14-15,22-26,28H2,1-4H3,(H,51,59)(H,52,57,58)
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n/an/a 1n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012928
PNG
(2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NCc1cccc(CN)c1)-c1cccnc1
Show InChI InChI=1S/C46H60N10O4/c1-4-11-37-44-55-54-43(56(44)29-40(51-37)35-17-10-19-49-28-35)36(22-34-16-9-18-48-26-34)45(59)53-42(58)24-41(57)38(23-31-12-6-5-7-13-31)52-46(60)39(20-30(2)3)50-27-33-15-8-14-32(21-33)25-47/h8-10,14-19,21,26,28-31,36,38-39,41,50,57H,4-7,11-13,20,22-25,27,47H2,1-3H3,(H,52,60)(H,53,58,59)/t36?,38-,39?,41-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012923
PNG
(2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...)
Show SMILES CC(C)CC(NCc1cccc(CN)c1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1/C48H63N9O4/c1-31(2)21-40-46-56-55-45(57(46)30-42(52-40)37-18-9-6-10-19-37)38(24-36-17-12-20-50-28-36)47(60)54-44(59)26-43(58)39(25-33-13-7-5-8-14-33)53-48(61)41(22-32(3)4)51-29-35-16-11-15-34(23-35)27-49/h6,9-12,15-20,23,28,30-33,38-39,41,43,51,58H,5,7-8,13-14,21-22,24-27,29,49H2,1-4H3,(H,53,61)(H,54,59,60)
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n/an/a 1.70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012932
PNG
(4-(1-{1-Cyclohexylmethyl-2-hydroxy-4-[2-(8-isobuty...)
Show SMILES CC(C)CC(NCCCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C44H60N8O6/c1-28(2)21-35-42-51-50-41(52(42)27-37(47-35)32-16-9-6-10-17-32)33(23-31-15-11-19-45-26-31)43(57)49-39(54)25-38(53)34(24-30-13-7-5-8-14-30)48-44(58)36(22-29(3)4)46-20-12-18-40(55)56/h6,9-11,15-17,19,26-30,33-34,36,38,46,53H,5,7-8,12-14,18,20-25H2,1-4H3,(H,48,58)(H,55,56)(H,49,54,57)/t33?,34-,36?,38-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012943
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C
Show InChI InChI=1/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43)
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n/an/a 2.70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012925
PNG
(2-Amino-6-(1-{1-cyclohexylmethyl-2-hydroxy-4-[2-(8...)
Show SMILES CC(C)CC(NCCCC[C@H](N)C(O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C46H65N9O6/c1-29(2)22-37-43-54-53-42(55(43)28-39(50-37)33-17-9-6-10-18-33)34(24-32-16-13-20-48-27-32)44(58)52-41(57)26-40(56)36(25-31-14-7-5-8-15-31)51-45(59)38(23-30(3)4)49-21-12-11-19-35(47)46(60)61/h6,9-10,13,16-18,20,27-31,34-36,38,40,49,56H,5,7-8,11-12,14-15,19,21-26,47H2,1-4H3,(H,51,59)(H,60,61)(H,52,57,58)/t34?,35-,36-,38?,40-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047133
PNG
(CHEMBL434768 | {6-Ethyl-2-methyl-4-[2'-(1H-tetrazo...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)c2ccccc2)c(C)n1
Show InChI InChI=1S/C29H25N5O2/c1-3-23-17-26(27(19(2)30-23)28(35)22-9-5-4-6-10-22)36-18-20-13-15-21(16-14-20)24-11-7-8-12-25(24)29-31-33-34-32-29/h4-17H,3,18H2,1-2H3,(H,31,32,33,34)
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n/an/a 4n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047117
PNG
(2,6-Diethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)OC)c(CC)n1
Show InChI InChI=1S/C25H25N5O3/c1-4-18-14-22(23(25(31)32-3)21(5-2)26-18)33-15-16-10-12-17(13-11-16)19-8-6-7-9-20(19)24-27-29-30-28-24/h6-14H,4-5,15H2,1-3H3,(H,27,28,29,30)
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n/an/a 5n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047111
PNG
(6-Ethyl-2-methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)OC)c(C)n1
Show InChI InChI=1S/C24H23N5O3/c1-4-18-13-21(22(15(2)25-18)24(30)31-3)32-14-16-9-11-17(12-10-16)19-7-5-6-8-20(19)23-26-28-29-27-23/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)
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n/an/a 5n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047130
PNG
(CHEMBL280189 | {2,6-Dimethyl-4-[2'-(1H-tetrazol-5-...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)c2ccccc2)c(C)n1
Show InChI InChI=1S/C28H23N5O2/c1-18-16-25(26(19(2)29-18)27(34)22-8-4-3-5-9-22)35-17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)28-30-32-33-31-28/h3-16H,17H2,1-2H3,(H,30,31,32,33)
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n/an/a 6n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047113
PNG
(2,6-Dimethyl-3-phenyl-4-[2'-(1H-tetrazol-5-yl)-bip...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(c(C)n1)-c1ccccc1
Show InChI InChI=1S/C27H23N5O/c1-18-16-25(26(19(2)28-18)22-8-4-3-5-9-22)33-17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27-29-31-32-30-27/h3-16H,17H2,1-2H3,(H,29,30,31,32)
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n/an/a 6n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012929
PNG
(2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...)
Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NCc1cccc(CN)c1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1/C45H59N9O4/c1-28(2)18-36(50-45(58)38(20-30(5)6)48-26-32-13-10-12-31(21-32)24-46)40(55)23-41(56)51-44(57)35(22-33-14-11-17-47-25-33)42-52-53-43-37(19-29(3)4)49-39(27-54(42)43)34-15-8-7-9-16-34/h7-17,21,25,27-30,35-36,38,40,48,55H,18-20,22-24,26,46H2,1-6H3,(H,50,58)(H,51,56,57)
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n/an/a 6.80n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047122
PNG
(1-{6-Ethyl-2-methyl-4-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(C)=O)c(C)n1
Show InChI InChI=1S/C24H23N5O2/c1-4-19-13-22(23(16(3)30)15(2)25-19)31-14-17-9-11-18(12-10-17)20-7-5-6-8-21(20)24-26-28-29-27-24/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)
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n/an/a 8n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047129
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCc2n1
Show InChI InChI=1S/C24H23N5O/c1-2-18-14-23(21-8-5-9-22(21)25-18)30-15-16-10-12-17(13-11-16)19-6-3-4-7-20(19)24-26-28-29-27-24/h3-4,6-7,10-14H,2,5,8-9,15H2,1H3,(H,26,27,28,29)
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n/an/a 8n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012937
PNG
(CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hyd...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1
Show InChI InChI=1/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)
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n/an/a 8.60n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047112
PNG
(2-Methyl-6-propyl-4-[2'-(1H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(C(=O)OC)c(C)n1
Show InChI InChI=1S/C25H25N5O3/c1-4-7-19-14-22(23(16(2)26-19)25(31)32-3)33-15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)24-27-29-30-28-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,27,28,29,30)
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n/an/a 9n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003386
PNG
(2-Ethyl-5-methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2c(C)cccc2n1
Show InChI InChI=1S/C26H23N5O/c1-3-20-15-24(25-17(2)7-6-10-23(25)27-20)32-16-18-11-13-19(14-12-18)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 13n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047132
PNG
(2,6-Diethyl-3-iodo-4-[2'-(2H-tetrazol-5-yl)-biphen...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(I)c(CC)n1
Show InChI InChI=1S/C23H22IN5O/c1-3-17-13-21(22(24)20(4-2)25-17)30-14-15-9-11-16(12-10-15)18-7-5-6-8-19(18)23-26-28-29-27-23/h5-13H,3-4,14H2,1-2H3,(H,26,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047119
PNG
(3-Benzyl-2,6-dimethyl-4-[2'-(1H-tetrazol-5-yl)-bip...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(Cc2ccccc2)c(C)n1
Show InChI InChI=1S/C28H25N5O/c1-19-16-27(26(20(2)29-19)17-21-8-4-3-5-9-21)34-18-22-12-14-23(15-13-22)24-10-6-7-11-25(24)28-30-32-33-31-28/h3-16H,17-18H2,1-2H3,(H,30,31,32,33)
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n/an/a 14n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003392
PNG
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H19N5O/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003392
PNG
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H19N5O/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
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=1/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 18n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50406795
PNG
(Cozaar | LOSARTAN POTASSIUM)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C22H22ClN6O/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/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1
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n/an/a 18n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003400
PNG
(2-Ethyl-6-methoxy-4-[2'-(1H-tetrazol-5-yl)-bipheny...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OC)ccc2n1
Show InChI InChI=1S/C26H23N5O2/c1-3-19-14-25(23-15-20(32-2)12-13-24(23)27-19)33-16-17-8-10-18(11-9-17)21-6-4-5-7-22(21)26-28-30-31-29-26/h4-15H,3,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 22n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047125
PNG
(2-Ethyl-6-methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCc1nc(C)cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1C(=O)OC
Show InChI InChI=1S/C24H23N5O3/c1-4-20-22(24(30)31-3)21(13-15(2)25-20)32-14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)23-26-28-29-27-23/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)
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n/an/a 23n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047127
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCCCc2n1
Show InChI InChI=1S/C26H27N5O/c1-2-20-16-25(23-10-4-3-5-11-24(23)27-20)32-17-18-12-14-19(15-13-18)21-8-6-7-9-22(21)26-28-30-31-29-26/h6-9,12-16H,2-5,10-11,17H2,1H3,(H,28,29,30,31)
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n/an/a 25n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047115
PNG
(2,6-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(c(C)n1)-c1ccncc1
Show InChI InChI=1S/C26H22N6O/c1-17-15-24(25(18(2)28-17)21-11-13-27-14-12-21)33-16-19-7-9-20(10-8-19)22-5-3-4-6-23(22)26-29-31-32-30-26/h3-15H,16H2,1-2H3,(H,29,30,31,32)
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n/an/a 25n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003403
PNG
(2-Ethyl-6-isopropoxy-4-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OC(C)C)ccc2n1
Show InChI InChI=1S/C28H27N5O2/c1-4-21-15-27(25-16-22(35-18(2)3)13-14-26(25)29-21)34-17-19-9-11-20(12-10-19)23-7-5-6-8-24(23)28-30-32-33-31-28/h5-16,18H,4,17H2,1-3H3,(H,30,31,32,33)
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n/an/a 26n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003377
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OCC(F)(F)F)ccc2n1
Show InChI InChI=1S/C27H22F3N5O2/c1-2-19-13-25(23-14-20(11-12-24(23)31-19)37-16-27(28,29)30)36-15-17-7-9-18(10-8-17)21-5-3-4-6-22(21)26-32-34-35-33-26/h3-14H,2,15-16H2,1H3,(H,32,33,34,35)
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n/an/a 26n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014134
PNG
(6-Amino-2-(3-benzyl-2,5,9-trioxo-6-phenyl-[1,4]dia...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCC(c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C42H52N6O5/c1-28(2)22-24-44-40(51)35(26-31-27-45-34-18-10-9-17-32(31)34)46-41(52)37(19-11-12-23-43)48-38(49)21-20-33(30-15-7-4-8-16-30)39(50)47-36(42(48)53)25-29-13-5-3-6-14-29/h3-10,13-18,27-28,33,35-37,45H,11-12,19-26,43H2,1-2H3,(H,44,51)(H,46,52)(H,47,50)/t33?,35-,36-,37-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012941
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C
Show InChI InChI=1S/C34H51N7O3/c1-5-7-17-36-34(44)26(23(3)4)19-30(42)28(18-24-13-9-8-10-14-24)38-32(43)20-31-39-40-33-27(12-6-2)37-29(22-41(31)33)25-15-11-16-35-21-25/h11,15-16,21-24,26,28,30,42H,5-10,12-14,17-20H2,1-4H3,(H,36,44)(H,38,43)/t26-,28?,30?/m0/s1
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n/an/a 26n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047131
PNG
(1-{2,6-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-...)
Show SMILES CC(=O)c1c(C)nc(C)cc1OCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N5O2/c1-14-12-21(22(16(3)29)15(2)24-14)30-13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-12H,13H2,1-3H3,(H,25,26,27,28)
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n/an/a 30n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012940
PNG
(6-Cyclohexyl-4-hydroxy-5-[2-(8-isobutyl-6-phenyl-[...)
Show SMILES CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(C)C
Show InChI InChI=1/C36H54N6O3/c1-6-7-18-37-36(45)28(25(4)5)21-32(43)29(20-26-14-10-8-11-15-26)39-34(44)22-33-40-41-35-30(19-24(2)3)38-31(23-42(33)35)27-16-12-9-13-17-27/h9,12-13,16-17,23-26,28-29,32,43H,6-8,10-11,14-15,18-22H2,1-5H3,(H,37,45)(H,39,44)
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n/an/a 30n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003387
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/C25H21N5O/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/h3-15H,2,16H2,1H3,(H,27,28,29,30)
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n/an/a 31n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003387
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/C25H21N5O/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/h3-15H,2,16H2,1H3,(H,27,28,29,30)
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n/an/a 31n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047118
PNG
(3-Iodo-2,6-dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(I)c(C)n1
Show InChI InChI=1S/C21H18IN5O/c1-13-11-19(20(22)14(2)23-13)28-12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)21-24-26-27-25-21/h3-11H,12H2,1-2H3,(H,24,25,26,27)
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n/an/a 34n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003394
PNG
(2-Methyl-4-{1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES CC(Oc1cc(C)nc2ccccc12)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1/C25H21N5O/c1-16-15-24(22-9-5-6-10-23(22)26-16)31-17(2)18-11-13-19(14-12-18)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15,17H,1-2H3,(H,27,28,29,30)
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n/an/a 40n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012942
PNG
(6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-...)
Show SMILES CCCCN(C)C(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cccnc1)c1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C
Show InChI InChI=1/C41H58N8O3/c1-6-8-21-48(5)41(52)32(28(3)4)24-37(50)35(23-29-15-10-9-11-16-29)45-40(51)33(22-30-17-12-19-42-25-30)38-46-47-39-34(14-7-2)44-36(27-49(38)39)31-18-13-20-43-26-31/h12-13,17-20,25-29,32-33,35,37,50H,6-11,14-16,21-24H2,1-5H3,(H,45,51)
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n/an/a 41n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2335-42 (1990)


Article DOI: 10.1021/jm00171a006
BindingDB Entry DOI: 10.7270/Q2C8288F
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012935
PNG
(CHEMBL431401 | N-(2-Cyclohexyl-1-cyclohexylmethyl-...)
Show SMILES CCCc1nc(cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12)-c1cccnc1
Show InChI InChI=1S/C30H42N6O2/c1-2-10-24-30-35-34-27(36(30)20-26(32-24)23-15-9-16-31-19-23)18-28(37)33-25(17-21-11-5-3-6-12-21)29(38)22-13-7-4-8-14-22/h9,15-16,19-22,25,29,38H,2-8,10-14,17-18H2,1H3,(H,33,37)/t25-,29?/m0/s1
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n/an/a 48n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
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 50n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047124
PNG
(2,6-Dimethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-y...)
Show SMILES COC(=O)c1c(C)nc(C)cc1OCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N5O3/c1-14-12-20(21(15(2)24-14)23(29)30-3)31-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-25-27-28-26-22/h4-12H,13H2,1-3H3,(H,25,26,27,28)
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n/an/a 50n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047121
PNG
(6-Methyl-2-propyl-4-[2'-(1H-tetrazol-5-yl)-bipheny...)
Show SMILES CCCc1nc(C)cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1C(=O)OC
Show InChI InChI=1S/C25H25N5O3/c1-4-7-21-23(25(31)32-3)22(14-16(2)26-21)33-15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)24-27-29-30-28-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,27,28,29,30)
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n/an/a 54n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1


J Med Chem 36: 1245-54 (1993)


Article DOI: 10.1021/jm00061a016
BindingDB Entry DOI: 10.7270/Q2GM86CM
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50003376
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2c(cccc2n1)C#N
Show InChI InChI=1S/C26H20N6O/c1-2-20-14-24(25-19(15-27)6-5-9-23(25)28-20)33-16-17-10-12-18(13-11-17)21-7-3-4-8-22(21)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32)
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n/an/a 60n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the specific binding of [125I]-angiotensin II to a guinea pig adrenal membrane preparation


J Med Chem 35: 4027-38 (1992)


Article DOI: 10.1021/jm00100a007
BindingDB Entry DOI: 10.7270/Q2G44P8Q
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50012933
PNG
(4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic ...)
Show SMILES CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1/C40H54N8O4/c1-26(2)19-32-39-47-46-36(48(39)25-34(43-32)29-15-9-6-10-16-29)23-38(51)45-37(50)22-35(49)31(21-28-13-7-5-8-14-28)44-40(52)33(20-27(3)4)42-24-30-17-11-12-18-41-30/h6,9-12,15-18,25-28,31,33,35,42,49H,5,7-8,13-14,19-24H2,1-4H3,(H,44,52)(H,45,50,51)
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n/an/a 63n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair
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