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Articleid 50029208

Compile data set for download or QSAR
Found 6 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 B


(RAT)		BDBM50282260
PNG
(7-Butyl-8-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCC1=NC2(CCCC2)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C26H30N6O/c1-2-3-10-23-27-26(15-6-7-16-26)17-24(33)32(23)18-19-11-13-20(14-12-19)21-8-4-5-9-22(21)25-28-30-31-29-25/h4-5,8-9,11-14H,2-3,6-7,10,15-18H2,1H3,(H,28,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of specific binding of [125I]-AII to Angiotensin II receptor, type 1 from rat liver membrane

Bioorg Med Chem Lett 4: 157-162 (1994)


Article DOI: 10.1016/S0960-894X(01)81139-2
BindingDB Entry DOI: 10.7270/Q2QN66QV
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50042235
PNG
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)
Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
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Article
n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of specific binding of [125I]-AII to Angiotensin II receptor, type 1 from rat liver membrane

Bioorg Med Chem Lett 4: 157-162 (1994)


Article DOI: 10.1016/S0960-894X(01)81139-2
BindingDB Entry DOI: 10.7270/Q2QN66QV
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282261
PNG
(7-Butyl-10,10-dimethyl-8-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES CCCCC1=NC2(CCCC2)C(C)(C)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C28H34N6O/c1-4-5-12-24-29-28(17-8-9-18-28)27(2,3)26(35)34(24)19-20-13-15-21(16-14-20)22-10-6-7-11-23(22)25-30-32-33-31-25/h6-7,10-11,13-16H,4-5,8-9,12,17-19H2,1-3H3,(H,30,31,32,33)
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of specific binding of [125I]-AII to Angiotensin II receptor, type 1 from rat liver membrane

Bioorg Med Chem Lett 4: 157-162 (1994)


Article DOI: 10.1016/S0960-894X(01)81139-2
BindingDB Entry DOI: 10.7270/Q2QN66QV
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282257
PNG
(4'-(7-Butyl-9-oxo-6,8-diaza-spiro[4.5]dec-6-en-8-y...)
Show SMILES CCCCC1=NC2(CCCC2)CC(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C26H30N2O3/c1-2-3-10-23-27-26(15-6-7-16-26)17-24(29)28(23)18-19-11-13-20(14-12-19)21-8-4-5-9-22(21)25(30)31/h4-5,8-9,11-14H,2-3,6-7,10,15-18H2,1H3,(H,30,31)
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of specific binding of [125I]-AII to Angiotensin II receptor, type 1 from rat liver membrane

Bioorg Med Chem Lett 4: 157-162 (1994)


Article DOI: 10.1016/S0960-894X(01)81139-2
BindingDB Entry DOI: 10.7270/Q2QN66QV
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282258
PNG
(4'-(8-Butyl-6-oxo-7,9-diaza-spiro[4.5]dec-8-en-7-y...)
Show SMILES CCCCC1=NCC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C26H30N2O3/c1-2-3-10-23-27-18-26(15-6-7-16-26)25(31)28(23)17-19-11-13-20(14-12-19)21-8-4-5-9-22(21)24(29)30/h4-5,8-9,11-14H,2-3,6-7,10,15-18H2,1H3,(H,29,30)
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n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of specific binding of [125I]-AII to Angiotensin II receptor, type 1 from rat liver membrane

Bioorg Med Chem Lett 4: 157-162 (1994)


Article DOI: 10.1016/S0960-894X(01)81139-2
BindingDB Entry DOI: 10.7270/Q2QN66QV
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282259
PNG
(4'-(8-Butyl-10-oxo-7,9-diaza-spiro[4.5]dec-8-en-7-...)
Show SMILES CCCCC1=NC(=O)C2(CCCC2)CN1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C26H30N2O3/c1-2-3-10-23-27-25(31)26(15-6-7-16-26)18-28(23)17-19-11-13-20(14-12-19)21-8-4-5-9-22(21)24(29)30/h4-5,8-9,11-14H,2-3,6-7,10,15-18H2,1H3,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of specific binding of [125I]-AII to Angiotensin II receptor, type 1 from rat liver membrane

Bioorg Med Chem Lett 4: 157-162 (1994)


Article DOI: 10.1016/S0960-894X(01)81139-2
BindingDB Entry DOI: 10.7270/Q2QN66QV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%