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PubMed code 8230109

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 type 1a (AT-1a) receptor


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041966
PNG
(CHEMBL324629 | Pentanoic acid benzyl-{4-oxo-2-prop...)
Show SMILES CCCCC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-16-35(45)43(24-26-12-7-6-8-13-26)29-21-22-33-32(23-29)37(46)44(34(38-33)11-4-2)25-27-17-19-28(20-18-27)30-14-9-10-15-31(30)36-39-41-42-40-36/h6-10,12-15,17-23H,3-5,11,16,24-25H2,1-2H3,(H,39,40,41,42)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041967
PNG
(Benzyl-{4-oxo-2-propyl-3-[2'-(1H-tetrazol-5-yl)-bi...)
Show SMILES CCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N(Cc1ccccc1)C(=O)OCC(C)C
Show InChI InChI=1S/C37H37N7O3/c1-4-10-34-38-33-20-19-29(43(37(46)47-24-25(2)3)22-26-11-6-5-7-12-26)21-32(33)36(45)44(34)23-27-15-17-28(18-16-27)30-13-8-9-14-31(30)35-39-41-42-40-35/h5-9,11-21,25H,4,10,22-24H2,1-3H3,(H,39,40,41,42)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


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

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041968
PNG
(Benzyl-{4-oxo-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES CCCOC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C36H35N7O3/c1-3-10-33-37-32-20-19-28(42(36(45)46-21-4-2)23-25-11-6-5-7-12-25)22-31(32)35(44)43(33)24-26-15-17-27(18-16-26)29-13-8-9-14-30(29)34-38-40-41-39-34/h5-9,11-20,22H,3-4,10,21,23-24H2,1-2H3,(H,38,39,40,41)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


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

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50041965
PNG
(CHEMBL326217 | Methyl-{4-oxo-2-propyl-3-[2'-(2H-te...)
Show SMILES CCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N(C)C(=O)OCC(C)C
Show InChI InChI=1S/C31H33N7O3/c1-5-8-28-32-27-16-15-23(37(4)31(40)41-19-20(2)3)17-26(27)30(39)38(28)18-21-11-13-22(14-12-21)24-9-6-7-10-25(24)29-33-35-36-34-29/h6-7,9-17,20H,5,8,18-19H2,1-4H3,(H,33,34,35,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50041966
PNG
(CHEMBL324629 | Pentanoic acid benzyl-{4-oxo-2-prop...)
Show SMILES CCCCC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C37H37N7O2/c1-3-5-16-35(45)43(24-26-12-7-6-8-13-26)29-21-22-33-32(23-29)37(46)44(34(38-33)11-4-2)25-27-17-19-28(20-18-27)30-14-9-10-15-31(30)36-39-41-42-40-36/h6-10,12-15,17-23H,3-5,11,16,24-25H2,1-2H3,(H,39,40,41,42)
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Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


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

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50041968
PNG
(Benzyl-{4-oxo-2-propyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES CCCOC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
Show InChI InChI=1S/C36H35N7O3/c1-3-10-33-37-32-20-19-28(42(36(45)46-21-4-2)23-25-11-6-5-7-12-25)22-31(32)35(44)43(33)24-26-15-17-27(18-16-26)29-13-8-9-14-30(29)34-38-40-41-39-34/h5-9,11-20,22H,3-4,10,21,23-24H2,1-2H3,(H,38,39,40,41)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50041964
PNG
(CHEMBL110265 | {4-Oxo-2-propyl-3-[2'-(2H-tetrazol-...)
Show SMILES CCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H31N7O3/c1-4-7-27-32-26-15-14-22(31-30(39)40-18-19(2)3)16-25(26)29(38)37(27)17-20-10-12-21(13-11-20)23-8-5-6-9-24(23)28-33-35-36-34-28/h5-6,8-16,19H,4,7,17-18H2,1-3H3,(H,31,39)(H,33,34,35,36)
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n/an/a 3.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50041970
PNG
(CHEMBL280526 | {2-Butyl-4-oxo-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H33N7O3/c1-4-5-10-28-33-27-16-15-23(32-31(40)41-19-20(2)3)17-26(27)30(39)38(28)18-21-11-13-22(14-12-21)24-8-6-7-9-25(24)29-34-36-37-35-29/h6-9,11-17,20H,4-5,10,18-19H2,1-3H3,(H,32,40)(H,34,35,36,37)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50041967
PNG
(Benzyl-{4-oxo-2-propyl-3-[2'-(1H-tetrazol-5-yl)-bi...)
Show SMILES CCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N(Cc1ccccc1)C(=O)OCC(C)C
Show InChI InChI=1S/C37H37N7O3/c1-4-10-34-38-33-20-19-29(43(37(46)47-24-25(2)3)22-26-11-6-5-7-12-26)21-32(33)36(45)44(34)23-27-15-17-28(18-16-27)30-13-8-9-14-31(30)35-39-41-42-40-35/h5-9,11-21,25H,4,10,22-24H2,1-3H3,(H,39,40,41,42)
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Curated by ChEMBL


Assay Description
Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041965
PNG
(CHEMBL326217 | Methyl-{4-oxo-2-propyl-3-[2'-(2H-te...)
Show SMILES CCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N(C)C(=O)OCC(C)C
Show InChI InChI=1S/C31H33N7O3/c1-5-8-28-32-27-16-15-23(37(4)31(40)41-19-20(2)3)17-26(27)30(39)38(28)18-21-11-13-22(14-12-21)24-9-6-7-10-25(24)29-33-35-36-34-29/h6-7,9-17,20H,5,8,18-19H2,1-4H3,(H,33,34,35,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041963
PNG
(CHEMBL24861 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-...)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)N(C)C(=O)OCC(C)C
Show InChI InChI=1S/C32H35N7O3/c1-5-6-11-29-33-28-17-16-24(38(4)32(41)42-20-21(2)3)18-27(28)31(40)39(29)19-22-12-14-23(15-13-22)25-9-7-8-10-26(25)30-34-36-37-35-30/h7-10,12-18,21H,5-6,11,19-20H2,1-4H3,(H,34,35,36,37)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041964
PNG
(CHEMBL110265 | {4-Oxo-2-propyl-3-[2'-(2H-tetrazol-...)
Show SMILES CCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H31N7O3/c1-4-7-27-32-26-15-14-22(31-30(39)40-18-19(2)3)16-25(26)29(38)37(27)17-20-10-12-21(13-11-20)23-8-5-6-9-24(23)28-33-35-36-34-28/h5-6,8-16,19H,4,7,17-18H2,1-3H3,(H,31,39)(H,33,34,35,36)
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Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041969
PNG
(3-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H34N8O2/c1-5-6-11-28-33-27-17-16-23(32-31(41)38(4)20(2)3)18-26(27)30(40)39(28)19-21-12-14-22(15-13-21)24-9-7-8-10-25(24)29-34-36-37-35-29/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,41)(H,34,35,36,37)
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n/an/a 4.50E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50041970
PNG
(CHEMBL280526 | {2-Butyl-4-oxo-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H33N7O3/c1-4-5-10-28-33-27-16-15-23(32-31(40)41-19-20(2)3)17-26(27)30(39)38(28)18-21-11-13-22(14-12-21)24-8-6-7-9-25(24)29-34-36-37-35-29/h6-9,11-17,20H,4-5,10,18-19H2,1-3H3,(H,32,40)(H,34,35,36,37)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.35E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA


J Med Chem 36: 3207-10 (1993)


Article DOI: 10.1021/jm00073a024
BindingDB Entry DOI: 10.7270/Q2QR4W6P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%