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Articleid 50029413

Compile data set for download or QSAR
Found 19 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
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213084
PNG
(CHEMBL15118)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(CC)OC
Show InChI InChI=1S/C30H32N6O2/c1-4-6-11-28-31-26-17-16-22(27(5-2)38-3)18-25(26)30(37)36(28)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)29-32-34-35-33-29/h7-10,12-18,27H,4-6,11,19H2,1-3H3,(H,32,33,34,35)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213197
PNG
(CHEMBL416714)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)NC(C)=O
Show InChI InChI=1S/C30H31N7O2/c1-4-5-10-28-32-27-16-15-23(19(2)31-20(3)38)17-26(27)30(39)37(28)18-21-11-13-22(14-12-21)24-8-6-7-9-25(24)29-33-35-36-34-29/h6-9,11-17,19H,4-5,10,18H2,1-3H3,(H,31,38)(H,33,34,35,36)
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213086
PNG
(CL-329167)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)OC
Show InChI InChI=1S/C30H32N6O2/c1-5-6-11-27-31-26-17-16-22(30(2,3)38-4)18-25(26)29(37)36(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28-32-34-35-33-28/h7-10,12-18H,5-6,11,19H2,1-4H3,(H,32,33,34,35)
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213196
PNG
(CHEMBL15154)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)OC
Show InChI InChI=1S/C29H30N6O2/c1-4-5-10-27-30-26-16-15-22(19(2)37-3)17-25(26)29(36)35(27)18-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28-31-33-34-32-28/h6-9,11-17,19H,4-5,10,18H2,1-3H3,(H,31,32,33,34)
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213198
PNG
(CHEMBL15225)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)O
Show InChI InChI=1S/C28H28N6O2/c1-3-4-9-26-29-25-15-14-21(18(2)35)16-24(25)28(36)34(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27-30-32-33-31-27/h5-8,10-16,18,35H,3-4,9,17H2,1-2H3,(H,30,31,32,33)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213192
PNG
(CHEMBL274466)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(OC)c1ccccc1
Show InChI InChI=1S/C34H32N6O2/c1-3-4-14-31-35-30-20-19-26(32(42-2)25-10-6-5-7-11-25)21-29(30)34(41)40(31)22-23-15-17-24(18-16-23)27-12-8-9-13-28(27)33-36-38-39-37-33/h5-13,15-21,32H,3-4,14,22H2,1-2H3,(H,36,37,38,39)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213087
PNG
(CHEMBL14748)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O
Show InChI InChI=1S/C29H30N6O2/c1-4-5-10-26-30-25-16-15-21(29(2,3)37)17-24(25)28(36)35(26)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)27-31-33-34-32-27/h6-9,11-17,37H,4-5,10,18H2,1-3H3,(H,31,32,33,34)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213089
PNG
(CHEMBL422756)
Show SMILES CCCCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C27H26N6O/c1-3-4-9-25-28-24-15-10-18(2)16-23(24)27(34)33(25)17-19-11-13-20(14-12-19)21-7-5-6-8-22(21)26-29-31-32-30-26/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,29,30,31,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213193
PNG
(CHEMBL15214)
Show SMILES CCCCc1nc2ccc(CO)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C27H26N6O2/c1-2-3-8-25-28-24-14-11-19(17-34)15-23(24)27(35)33(25)16-18-9-12-20(13-10-18)21-6-4-5-7-22(21)26-29-31-32-30-26/h4-7,9-15,34H,2-3,8,16-17H2,1H3,(H,29,30,31,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213194
PNG
(CHEMBL15141)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)CC
Show InChI InChI=1S/C29H30N6O2/c1-3-5-10-27-30-25-16-15-21(26(36)4-2)17-24(25)29(37)35(27)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)28-31-33-34-32-28/h6-9,11-17,26,36H,3-5,10,18H2,1-2H3,(H,31,32,33,34)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213085
PNG
(CHEMBL14487)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)N
Show InChI InChI=1S/C28H29N7O/c1-3-4-9-26-30-25-15-14-21(18(2)29)16-24(25)28(36)35(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27-31-33-34-32-27/h5-8,10-16,18H,3-4,9,17,29H2,1-2H3,(H,31,32,33,34)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213083
PNG
(CHEMBL14507)
Show SMILES CCCCc1nc2ccc(CN)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C27H27N7O/c1-2-3-8-25-29-24-14-11-19(16-28)15-23(24)27(35)34(25)17-18-9-12-20(13-10-18)21-6-4-5-7-22(21)26-30-32-33-31-26/h4-7,9-15H,2-3,8,16-17,28H2,1H3,(H,30,31,32,33)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213195
PNG
(CHEMBL14951)
Show SMILES CCCCc1nc2ccc(COC)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C28H28N6O2/c1-3-4-9-26-29-25-15-12-20(18-36-2)16-24(25)28(35)34(26)17-19-10-13-21(14-11-19)22-7-5-6-8-23(22)27-30-32-33-31-27/h5-8,10-16H,3-4,9,17-18H2,1-2H3,(H,30,31,32,33)
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(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 |t:4|
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 8.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50284247
PNG
(2-Butyl-6-(pyridin-2-yloxymethyl)-3-[2'-(1H-tetraz...)
Show SMILES CCCCc1nc2ccc(COc3ccccn3)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C32H29N7O2/c1-2-3-10-29-34-28-17-14-23(21-41-30-11-6-7-18-33-30)19-27(28)32(40)39(29)20-22-12-15-24(16-13-22)25-8-4-5-9-26(25)31-35-37-38-36-31/h4-9,11-19H,2-3,10,20-21H2,1H3,(H,35,36,37,38)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the bovine adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50284242
PNG
(2-Butyl-6-phenoxymethyl-3-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCc1nc2ccc(COc3ccccc3)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C33H30N6O2/c1-2-3-13-31-34-30-19-16-24(22-41-26-9-5-4-6-10-26)20-29(30)33(40)39(31)21-23-14-17-25(18-15-23)27-11-7-8-12-28(27)32-35-37-38-36-32/h4-12,14-20H,2-3,13,21-22H2,1H3,(H,35,36,37,38)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the bovine adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
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 |t:4|
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 3.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the bovine adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213082
PNG
(CHEMBL15283)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)CO
Show InChI InChI=1S/C28H28N6O3/c1-2-3-8-26-29-24-14-13-20(25(36)17-35)15-23(24)28(37)34(26)16-18-9-11-19(12-10-18)21-6-4-5-7-22(21)27-30-32-33-31-27/h4-7,9-15,25,35-36H,2-3,8,16-17H2,1H3,(H,30,31,32,33)
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n/an/a 1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50213088
PNG
(CHEMBL415983)
Show SMILES CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)C(C)(C)C
Show InChI InChI=1S/C31H34N6O2/c1-5-6-11-27-32-26-17-16-22(28(38)31(2,3)4)18-25(26)30(39)37(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)29-33-35-36-34-29/h7-10,12-18,28,38H,5-6,11,19H2,1-4H3,(H,33,34,35,36)
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Article
n/an/a 1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue


Bioorg Med Chem Lett 4: 1135-1140 (1994)


Article DOI: 10.1016/S0960-894X(01)80243-2
BindingDB Entry DOI: 10.7270/Q20G3K3Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%