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Articleid 50029723

Compile data set for download or QSAR
Found 8 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)		BDBM50287290
PNG
(CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30|
Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1
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n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50287294
PNG
(2-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C(O)=O)s1 |w:24.27,t:30|
Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)
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n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50287291
PNG
(CHEMBL35381 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2C(O)=O)s1 |w:24.27|
Show InChI InChI=1S/C26H21N7O3S/c1-2-22-30-33(26(37-22)27-24(34)20-9-5-6-10-21(20)25(35)36)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)23-28-31-32-29-23/h3-14H,2,15H2,1H3,(H,35,36)(H,28,29,31,32)
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n/an/a 0.660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50287289
PNG
(2-Chloro-N-[5-ethyl-3-[2'-(1H-tetrazol-5-yl)-biphe...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2Cl)s1 |w:24.27|
Show InChI InChI=1S/C25H20ClN7OS/c1-2-22-30-33(25(35-22)27-24(34)20-9-5-6-10-21(20)26)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)23-28-31-32-29-23/h3-14H,2,15H2,1H3,(H,28,29,31,32)
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n/an/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50287292
PNG
(CHEMBL34190 | Cyclopropanecarboxylic acid [5-ethyl...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2CC2)s1 |w:24.27|
Show InChI InChI=1S/C22H21N7OS/c1-2-19-26-29(22(31-19)23-21(30)16-11-12-16)13-14-7-9-15(10-8-14)17-5-3-4-6-18(17)20-24-27-28-25-20/h3-10,16H,2,11-13H2,1H3,(H,24,25,27,28)
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50287295
PNG
(CHEMBL35475 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(C)=O)s1 |w:24.27|
Show InChI InChI=1S/C20H19N7OS/c1-3-18-24-27(20(29-18)21-13(2)28)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-22-25-26-23-19/h4-11H,3,12H2,1-2H3,(H,22,23,25,26)
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n/an/a 7.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(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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n/an/a 9.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50287293
PNG
(CHEMBL286537 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2)s1 |w:24.27|
Show InChI InChI=1S/C25H21N7OS/c1-2-22-29-32(25(34-22)26-24(33)19-8-4-3-5-9-19)16-17-12-14-18(15-13-17)20-10-6-7-11-21(20)23-27-30-31-28-23/h3-15H,2,16H2,1H3,(H,27,28,30,31)
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)

Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%