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PubMed code 1469703

Compile data set for download or QSAR
Found 14 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)
BDBM50004154
PNG
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004155
PNG
(2-Butyl-6-chloro-4,4-dimethyl-1-[2'-(1H-tetrazol-5...)
Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2)24(28)34(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-30-32-33-31-25/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,30,31,32,33)
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004164
PNG
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(=O)OCC
Show InChI InChI=1S/C26H28ClN6O2/c1-4-6-11-22-28-24(27)23(26(34)35-5-2)17(3)33(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25-29-31-32-30-25/h7-10,12-15,17H,4-6,11,16H2,1-3H3/q-1
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8.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
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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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004153
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4-chlor...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC
Show InChI InChI=1S/C26H29ClN2O4/c1-4-6-11-22-28-24(27)23(26(32)33-5-2)17(3)29(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,30,31)
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41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004160
PNG
(CHEMBL145036 | Sodium; 4'-(2-butyl-6-chloro-5-etho...)
Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C27H31ClN2O4/c1-5-7-12-22-29-27(3,4)23(26(33)34-6-2)24(28)30(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25(31)32/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,31,32)/p-1
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58n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004163
PNG
(CHEMBL342287 | Sodium; 4'-(2-butyl-5-ethoxycarbony...)
Show SMILES CCCCc1ncc(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C25H26N2O5/c1-3-5-10-22-26-15-21(25(31)32-4-2)23(28)27(22)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(29)30/h6-9,11-15H,3-5,10,16H2,1-2H3,(H,29,30)/p-1
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82n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
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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95n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004162
PNG
(CHEMBL145276 | Sodium; 4'-(2-butyl-5-ethoxycarbony...)
Show SMILES CCCCc1nc(C)c(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C26H28N2O5/c1-4-6-11-22-27-17(3)23(26(32)33-5-2)24(29)28(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,30,31)/p-1
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150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004156
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4-(4-ch...)
Show SMILES CCCCC1=NC(=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H33ClN2O4/c1-4-6-11-28-34-30(24-16-18-25(33)19-17-24)29(32(38)39-5-2)21(3)35(28)20-22-12-14-23(15-13-22)26-9-7-8-10-27(26)31(36)37/h7-10,12-19,21H,4-6,11,20H2,1-3H3,(H,36,37)
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004157
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-6-methy...)
Show SMILES CCCCC1=NC(=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC)c1ccccc1
Show InChI InChI=1S/C32H34N2O4/c1-4-6-16-28-33-30(25-12-8-7-9-13-25)29(32(37)38-5-2)22(3)34(28)21-23-17-19-24(20-18-23)26-14-10-11-15-27(26)31(35)36/h7-15,17-20,22H,4-6,16,21H2,1-3H3,(H,35,36)
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850n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004158
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4,6-dim...)
Show SMILES CCCCC1=NC(C)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC
Show InChI InChI=1S/C27H32N2O4/c1-5-7-12-24-28-18(3)25(27(32)33-6-2)19(4)29(24)17-20-13-15-21(16-14-20)22-10-8-9-11-23(22)26(30)31/h8-11,13-16,19H,5-7,12,17H2,1-4H3,(H,30,31)
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990n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004159
PNG
(CHEMBL343622 | Sodium; 4'-(2-butyl-4-chloro-5-etho...)
Show SMILES CCCCC1=NC(Cl)=C(C(N1Cc1ccc(cc1)-c1ccccc1C([O-])=O)c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C31H31ClN2O4/c1-3-5-15-26-33-29(32)27(31(37)38-4-2)28(23-11-7-6-8-12-23)34(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)30(35)36/h6-14,16-19,28H,3-5,15,20H2,1-2H3,(H,35,36)/p-1
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1.43E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004165
PNG
(CHEMBL144952 | Sodium; 4'-(2-butyl-5-ethoxycarbony...)
Show SMILES CCCCc1nc(-c2ccccc2)c(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C31H30N2O5/c1-3-5-15-26-32-28(23-11-7-6-8-12-23)27(31(37)38-4-2)29(34)33(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)30(35)36/h6-14,16-19H,3-5,15,20H2,1-2H3,(H,35,36)/p-1
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1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%