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14 similar compounds to monomer 50035431

Compile data set for download or QSAR
Wt: 485.9
BDBM50044515
Wt: 469.5
BDBM50044475
Wt: 465.5
BDBM50044476
Wt: 485.9
BDBM50044481
Wt: 541.6
BDBM50044482
Wt: 465.5
BDBM50044487
Wt: 495.5
BDBM50044492
Wt: 496.5
BDBM50044506
Wt: 466.5
BDBM50044530
Wt: 465.5
BDBM50044533
Wt: 527.6
BDBM50044534
Wt: 479.5
BDBM50044535
Wt: 493.6
BDBM50044543
Wt: 451.5
BDBM50044354

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50044515,50044475,50044476,50044481,50044482,50044487,50044492,50044506,50044530,50044533,50044534,50044535,50044543,50044354   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044543
PNG
(5-Butyl-2-(2-isopropyl-phenyl)-4-[2'-(1H-tetrazol-...)
Show SMILES CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H31N7O/c1-4-5-14-27-32-36(26-13-9-8-10-23(26)20(2)3)29(37)35(27)19-21-15-17-22(18-16-21)24-11-6-7-12-25(24)28-30-33-34-31-28/h6-13,15-18,20H,4-5,14,19H2,1-3H3,(H,30,31,33,34)
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1.40n/an/an/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Angiotensin II receptor, type 1


J Med Chem 43: 1993-2006 (2000)


Article DOI: 10.1021/jm990504b
BindingDB Entry DOI: 10.7270/Q2MP53ZS
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044492
PNG
(2-{3-Butyl-5-oxo-4-[2'-(2H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(-c2ccccc2C(O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H25N7O3/c1-2-3-12-24-30-34(23-11-7-6-10-22(23)26(35)36)27(37)33(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-28-31-32-29-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,35,36)(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for AT1 receptor by displacing 125I[Sar, ILe8]AII radioligand in rabbit aorta membrane without using bovine serum albu...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044481
PNG
(5-Butyl-2-(3-chloro-phenyl)-4-[2'-(2H-tetrazol-5-y...)
Show SMILES CCCCc1nn(-c2cccc(Cl)c2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H24ClN7O/c1-2-3-11-24-30-34(21-8-6-7-20(27)16-21)26(35)33(24)17-18-12-14-19(15-13-18)22-9-4-5-10-23(22)25-28-31-32-29-25/h4-10,12-16H,2-3,11,17H2,1H3,(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044506
PNG
(5-Butyl-2-(4-nitro-phenyl)-4-[2'-(2H-tetrazol-5-yl...)
Show SMILES CCCCc1nn(-c2ccc(cc2)[N+]([O-])=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H24N8O3/c1-2-3-8-24-29-33(20-13-15-21(16-14-20)34(36)37)26(35)32(24)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)25-27-30-31-28-25/h4-7,9-16H,2-3,8,17H2,1H3,(H,27,28,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044533
PNG
(5-Butyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(-c2ccccc2C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H27N7O/c1-3-4-13-25-30-34(24-12-8-5-9-19(24)2)27(35)33(25)18-20-14-16-21(17-15-20)22-10-6-7-11-23(22)26-28-31-32-29-26/h5-12,14-17H,3-4,13,18H2,1-2H3,(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044492
PNG
(2-{3-Butyl-5-oxo-4-[2'-(2H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(-c2ccccc2C(O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H25N7O3/c1-2-3-12-24-30-34(23-11-7-6-10-22(23)26(35)36)27(37)33(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-28-31-32-29-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,35,36)(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044487
PNG
(5-Butyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(-c2cccc(C)c2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H27N7O/c1-3-4-12-25-30-34(22-9-7-8-19(2)17-22)27(35)33(25)18-20-13-15-21(16-14-20)23-10-5-6-11-24(23)26-28-31-32-29-26/h5-11,13-17H,3-4,12,18H2,1-2H3,(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044530
PNG
(2-(2-Amino-phenyl)-5-butyl-4-[2'-(2H-tetrazol-5-yl...)
Show SMILES CCCCc1nn(-c2ccccc2N)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H26N8O/c1-2-3-12-24-30-34(23-11-7-6-10-22(23)27)26(35)33(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-28-31-32-29-25/h4-11,13-16H,2-3,12,17,27H2,1H3,(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044515
PNG
(5-Butyl-2-(4-chloro-phenyl)-4-[2'-(2H-tetrazol-5-y...)
Show SMILES CCCCc1nn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H24ClN7O/c1-2-3-8-24-30-34(21-15-13-20(27)14-16-21)26(35)33(24)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)25-28-31-32-29-25/h4-7,9-16H,2-3,8,17H2,1H3,(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044476
PNG
(5-Butyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nn(-c2ccc(C)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H27N7O/c1-3-4-9-25-30-34(22-16-10-19(2)11-17-22)27(35)33(25)18-20-12-14-21(15-13-20)23-7-5-6-8-24(23)26-28-31-32-29-26/h5-8,10-17H,3-4,9,18H2,1-2H3,(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044475
PNG
(5-Butyl-2-(4-fluoro-phenyl)-4-[2'-(2H-tetrazol-5-y...)
Show SMILES CCCCc1nn(-c2ccc(F)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H24FN7O/c1-2-3-8-24-30-34(21-15-13-20(27)14-16-21)26(35)33(24)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)25-28-31-32-29-25/h4-7,9-16H,2-3,8,17H2,1H3,(H,28,29,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044354
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(-c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H25N7O/c1-2-3-13-24-29-33(21-9-5-4-6-10-21)26(34)32(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-27-30-31-28-25/h4-12,14-17H,2-3,13,18H2,1H3,(H,27,28,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044534
PNG
(2-Biphenyl-2-yl-5-butyl-4-[2'-(2H-tetrazol-5-yl)-b...)
Show SMILES CCCCc1nn(-c2ccccc2-c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C32H29N7O/c1-2-3-17-30-35-39(29-16-10-9-14-27(29)24-11-5-4-6-12-24)32(40)38(30)22-23-18-20-25(21-19-23)26-13-7-8-15-28(26)31-33-36-37-34-31/h4-16,18-21H,2-3,17,22H2,1H3,(H,33,34,36,37)
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044543
PNG
(5-Butyl-2-(2-isopropyl-phenyl)-4-[2'-(1H-tetrazol-...)
Show SMILES CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H31N7O/c1-4-5-14-27-32-36(26-13-9-8-10-23(26)20(2)3)29(37)35(27)19-21-15-17-22(18-16-21)24-11-6-7-12-25(24)28-30-33-34-31-28/h6-13,15-18,20H,4-5,14,19H2,1-3H3,(H,30,31,33,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50044354
PNG
(5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nn(-c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H25N7O/c1-2-3-13-24-29-33(21-9-5-4-6-10-21)26(34)32(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-27-30-31-28-25/h4-12,14-17H,2-3,13,18H2,1H3,(H,27,28,30,31)
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n/an/a 59n/an/an/an/an/an/a



Searle R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-angiotensin-II binding to the angiotensin II receptor type 1 in rat uterine membranes


J Med Chem 36: 2172-81 (1993)


Article DOI: 10.1021/jm00067a015
BindingDB Entry DOI: 10.7270/Q2C53JXM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044535
PNG
(5-Butyl-2-(4-ethyl-phenyl)-4-[2'-(2H-tetrazol-5-yl...)
Show SMILES CCCCc1nn(-c2ccc(CC)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29N7O/c1-3-5-10-26-31-35(23-17-13-20(4-2)14-18-23)28(36)34(26)19-21-11-15-22(16-12-21)24-8-6-7-9-25(24)27-29-32-33-30-27/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,29,30,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044482
PNG
(2-(2-Benzyl-phenyl)-5-butyl-4-[2'-(2H-tetrazol-5-y...)
Show SMILES CCCCc1nn(-c2ccccc2Cc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C33H31N7O/c1-2-3-17-31-36-40(30-16-10-7-13-27(30)22-24-11-5-4-6-12-24)33(41)39(31)23-25-18-20-26(21-19-25)28-14-8-9-15-29(28)32-34-37-38-35-32/h4-16,18-21H,2-3,17,22-23H2,1H3,(H,34,35,37,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without usi...


J Med Chem 36: 2558-68 (1993)


Article DOI: 10.1021/jm00069a015
BindingDB Entry DOI: 10.7270/Q2KP817C
More data for this
Ligand-Target Pair