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Compile Data Set for Download or QSAR

Found 13 hits from Ciba Geigy Limited   
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 AT1B


(RAT)
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=1S/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 26n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010146
PNG
(CHEMBL322683 | {2-Butyl-5-chloro-1-[6-(1H-tetrazol...)
Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc2cc(ccc2c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H21ClN6O/c1-2-3-4-18-22-17(12-28)19(21)27(18)11-13-5-6-15-10-16(8-7-14(15)9-13)20-23-25-26-24-20/h5-10,28H,2-4,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 200n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010144
PNG
(CHEMBL322071 | {2-Butyl-5-chloro-3-[6-(1H-tetrazol...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc2cc(ccc2c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H21ClN6O/c1-2-3-4-18-22-19(21)17(12-28)27(18)11-13-5-6-15-10-16(8-7-14(15)9-13)20-23-25-26-24-20/h5-10,28H,2-4,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 600n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010154
PNG
(6-(2-Butyl-5-chloro-4-hydroxymethyl-imidazol-1-ylm...)
Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc2CC(CCc2c1)C(O)=O
Show InChI InChI=1S/C20H25ClN2O3/c1-2-3-4-18-22-17(12-24)19(21)23(18)11-13-5-6-15-10-16(20(25)26)8-7-14(15)9-13/h5-6,9,16,24H,2-4,7-8,10-12H2,1H3,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010150
PNG
(CHEMBL107862 | {2-Butyl-5-chloro-3-[5-(1H-tetrazol...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1cccc2c(cccc12)-c1nnn[nH]1
Show InChI InChI=1S/C20H21ClN6O/c1-2-3-10-18-22-19(21)17(12-28)27(18)11-13-6-4-8-15-14(13)7-5-9-16(15)20-23-25-26-24-20/h4-9,28H,2-3,10-12H2,1H3,(H,23,24,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010145
PNG
(CHEMBL105525 | {2-Butyl-5-chloro-1-[6-(1H-tetrazol...)
Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc2CC(CCc2c1)c1nnn[nH]1
Show InChI InChI=1S/C20H25ClN6O/c1-2-3-4-18-22-17(12-28)19(21)27(18)11-13-5-6-15-10-16(8-7-14(15)9-13)20-23-25-26-24-20/h5-6,9,16,28H,2-4,7-8,10-12H2,1H3,(H,23,24,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010147
PNG
(6-(2-Butyl-5-chloro-4-hydroxymethyl-imidazol-1-ylm...)
Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc2CC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C21H27ClN2O3/c1-3-4-5-18-23-17(13-25)19(22)24(18)12-14-6-7-16-11-21(2,20(26)27)9-8-15(16)10-14/h6-7,10,25H,3-5,8-9,11-13H2,1-2H3,(H,26,27)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010155
PNG
(CHEMBL320951 | {2-Butyl-5-chloro-3-[6-(1H-tetrazol...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1cccc2cc(ccc12)-c1nnn[nH]1
Show InChI InChI=1S/C20H21ClN6O/c1-2-3-7-18-22-19(21)17(12-28)27(18)11-15-6-4-5-13-10-14(8-9-16(13)15)20-23-25-26-24-20/h4-6,8-10,28H,2-3,7,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010151
PNG
(6-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylm...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc2CC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C21H27ClN2O3/c1-3-4-5-18-23-19(22)17(13-25)24(18)12-14-6-7-16-11-21(2,20(26)27)9-8-15(16)10-14/h6-7,10,25H,3-5,8-9,11-13H2,1-2H3,(H,26,27)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010148
PNG
(CHEMBL106934 | {2-Butyl-5-chloro-3-[6-(1H-tetrazol...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc2CC(CCc2c1)c1nnn[nH]1
Show InChI InChI=1S/C20H25ClN6O/c1-2-3-4-18-22-19(21)17(12-28)27(18)11-13-5-6-15-10-16(8-7-14(15)9-13)20-23-25-26-24-20/h5-6,9,16,28H,2-4,7-8,10-12H2,1H3,(H,23,24,25,26)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010152
PNG
(6-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylm...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc2CC(CCc2c1)C(O)=O
Show InChI InChI=1S/C20H25ClN2O3/c1-2-3-4-18-22-19(21)17(12-24)23(18)11-13-5-6-15-10-16(20(25)26)8-7-14(15)9-13/h5-6,9,16,24H,2-4,7-8,10-12H2,1H3,(H,25,26)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010153
PNG
(CHEMBL105724 | {2-Butyl-5-chloro-3-[7-(1H-tetrazol...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc2ccc(cc2c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H21ClN6O/c1-2-3-4-18-22-19(21)17(12-28)27(18)11-13-5-6-14-7-8-15(10-16(14)9-13)20-23-25-26-24-20/h5-10,28H,2-4,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against Angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50010149
PNG
(CHEMBL323179 | {2-Butyl-5-chloro-3-[8-(1H-tetrazol...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc2cccc(-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C20H21ClN6O/c1-2-3-7-18-22-19(21)17(12-28)27(18)11-13-8-9-14-5-4-6-15(16(14)10-13)20-23-25-26-24-20/h4-6,8-10,28H,2-3,7,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


Article DOI: 10.1021/jm00114a021
BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair