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PubMed code 1433184

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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 AT1B


(RAT)
BDBM50003154
PNG
(2-{Propyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
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0.760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003158
PNG
(2-Methyl-4-{propyl-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-3-12-30(22-20(23(31)32)13-24-15(2)25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13H,3,12,14H2,1-2H3,(H,31,32)(H,26,27,28,29)
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2.78n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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3.13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/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,(H,25,26,27,28)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003156
PNG
(4-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C24H25N7O2/c1-3-4-13-31(23-21(24(32)33)14-25-16(2)26-23)15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-27-29-30-28-22/h5-12,14H,3-4,13,15H2,1-2H3,(H,32,33)(H,27,28,29,30)
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15.3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003157
PNG
(2-{Butyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethy...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ccc1C(O)=O
Show InChI InChI=1S/C25H26N6O2/c1-3-4-15-31(24-22(25(32)33)14-9-17(2)26-24)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)23-27-29-30-28-23/h5-14H,3-4,15-16H2,1-2H3,(H,32,33)(H,27,28,29,30)
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122n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003152
PNG
(2-Butyl-4-{[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCCc1ncc(C(O)=O)c(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C23H23N7O2/c1-2-3-8-20-24-14-19(23(31)32)21(26-20)25-13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,31,32)(H,24,25,26)(H,27,28,29,30)
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198n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against AT1 receptor in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003156
PNG
(4-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C24H25N7O2/c1-3-4-13-31(23-21(24(32)33)14-25-16(2)26-23)15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-27-29-30-28-22/h5-12,14H,3-4,13,15H2,1-2H3,(H,32,33)(H,27,28,29,30)
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n/an/an/a 1.55n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50406687
PNG
(CHEMBL125218)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C24H24N6O2/c1-2-3-15-30(23-21(24(31)32)9-6-14-25-23)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-26-28-29-27-22/h4-14H,2-3,15-16H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 0.316n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003158
PNG
(2-Methyl-4-{propyl-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-3-12-30(22-20(23(31)32)13-24-15(2)25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13H,3,12,14H2,1-2H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 0.251n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50406685
PNG
(CHEMBL123152)
Show SMILES OC(=O)c1cncnc1NCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C19H15N7O2/c27-19(28)16-10-20-11-22-17(16)21-9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-23-25-26-24-18/h1-8,10-11H,9H2,(H,27,28)(H,20,21,22)(H,23,24,25,26)
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n/an/an/a 2.95E+3n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against Angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 5.53-5.69


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003157
PNG
(2-{Butyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethy...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ccc1C(O)=O
Show InChI InChI=1S/C25H26N6O2/c1-3-4-15-31(24-22(25(32)33)14-9-17(2)26-24)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)23-27-29-30-28-23/h5-14H,3-4,15-16H2,1-2H3,(H,32,33)(H,27,28,29,30)
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n/an/an/a 8.32n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 8.08-8.22


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003154
PNG
(2-{Propyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.0794n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 10.1-10.7


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 0.117n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003152
PNG
(2-Butyl-4-{[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCCc1ncc(C(O)=O)c(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C23H23N7O2/c1-2-3-8-20-24-14-19(23(31)32)21(26-20)25-13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,31,32)(H,24,25,26)(H,27,28,29,30)
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n/an/an/a 12.3n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against AT1 receptor in isolated rabbit aorta; value ranges from 7.91-7.97


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50406688
PNG
(CHEMBL440521)
Show SMILES CCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C22H20N6O2/c1-2-28(21-19(22(29)30)8-5-13-23-21)14-15-9-11-16(12-10-15)17-6-3-4-7-18(17)20-24-26-27-25-20/h3-13H,2,14H2,1H3,(H,29,30)(H,24,25,26,27)
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n/an/an/a 2n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 8.70-8.83


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50406686
PNG
(CHEMBL121705)
Show SMILES CCCCc1ncc(C(O)=O)c(n1)N(C)Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H25N7O2/c1-3-4-9-21-25-14-20(24(32)33)23(26-21)31(2)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-27-29-30-28-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,32,33)(H,27,28,29,30)
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n/an/an/a 74.1n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against Angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 7.13-7.17


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/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,(H,25,26,27,28)
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n/an/an/a 5.37n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 8.27-8.70


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%