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PubChem AID 488865

Compile data set for download or QSAR
Found 77 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


(Homo sapiens (Human))		BDBM76099
PNG
(3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-oxolanylm...)
Show SMILES COc1ccc2[nH]c(=O)c(cc2c1)C(N1CCc2ccccc2C1)c1nnnn1CC1CCCO1
Show InChI InChI=1S/C26H28N6O3/c1-34-20-8-9-23-19(13-20)14-22(26(33)27-23)24(31-11-10-17-5-2-3-6-18(17)15-31)25-28-29-30-32(25)16-21-7-4-12-35-21/h2-3,5-6,8-9,13-14,21,24H,4,7,10-12,15-16H2,1H3,(H,27,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76106
PNG
(6-(1-benzimidazolylmethyl)-4-(2,5-dimethylphenyl)-...)
Show SMILES COC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:9|
Show InChI InChI=1S/C22H22N4O3/c1-13-8-9-14(2)15(10-13)20-19(21(27)29-3)17(24-22(28)25-20)11-26-12-23-16-6-4-5-7-18(16)26/h4-10,12,19-20H,11H2,1-3H3,(H,25,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76116
PNG
(6,7-diethoxy-3-[2-(2-ethyl-1-piperidinyl)ethyl]-2-...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCN3CCCCC3CC)c(=O)c2cc1OCC
Show InChI InChI=1S/C21H31N3O3S/c1-4-15-9-7-8-10-23(15)11-12-24-20(25)16-13-18(26-5-2)19(27-6-3)14-17(16)22-21(24)28/h13-15H,4-12H2,1-3H3,(H,22,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76123
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(5,...)
Show SMILES Cc1cc(C)c2sc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)nc2c1
Show InChI InChI=1S/C25H24N4O3S2/c1-16-13-17(2)23-22(14-16)26-25(33-23)28-27-24(30)19-7-9-21(10-8-19)34(31,32)29-12-11-18-5-3-4-6-20(18)15-29/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,28)(H,27,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76131
PNG
(2-(3-chlorobenzyl)-1,3,4,9-tetrahydro-beta-carboli...)
Show SMILES Clc1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C18H17ClN2/c19-14-5-3-4-13(10-14)11-21-9-8-16-15-6-1-2-7-17(15)20-18(16)12-21/h1-7,10,20H,8-9,11-12H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76138
PNG
(2-(4-keto-2H-pyridazin[4,5-b]indol-3-yl)-N-[4-(pip...)
Show SMILES O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H25N5O2/c30-22(26-18-10-8-17(9-11-18)15-28-12-4-1-5-13-28)16-29-24(31)23-20(14-25-29)19-6-2-3-7-21(19)27-23/h2-3,6-11,14,27H,1,4-5,12-13,15-16H2,(H,26,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM66944
PNG
(MLS001239376 | N-(6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES CN(C)CCCN(C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C23H22N4O5S2/c1-25(2)6-3-7-26(22(28)21-11-14-10-15(27(29)30)4-5-19(14)33-21)23-24-16-12-17-18(13-20(16)34-23)32-9-8-31-17/h4-5,10-13H,3,6-9H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76097
PNG
(2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfa...)
Show SMILES CCc1nnc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)s1
Show InChI InChI=1S/C18H22N6OS2/c1-2-15-22-23-17(27-15)21-14(25)11-26-18-20-13-9-6-10-19-16(13)24(18)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,21,23,25)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76110
PNG
(1-butan-2-yl-5-ethyl-2-(ethylthio)-6-hydroxy-4-pyr...)
Show SMILES CCSc1nc(O)c(CC)c(=O)n1C(C)CC
Show InChI InChI=1S/C12H20N2O2S/c1-5-8(4)14-11(16)9(6-2)10(15)13-12(14)17-7-3/h8,15H,5-7H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76111
PNG
(1-butan-2-yl-5-ethyl-6-hydroxy-2-(prop-2-enylthio)...)
Show SMILES CCC(C)n1c(SCC=C)nc(O)c(CC)c1=O
Show InChI InChI=1S/C13H20N2O2S/c1-5-8-18-13-14-11(16)10(7-3)12(17)15(13)9(4)6-2/h5,9,16H,1,6-8H2,2-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76118
PNG
(3-(4-Nitro-benzyloxy)-7,8,9,10-tetrahydro-benzo[c]...)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c4CCCCc4c(=O)oc3c2)cc1
Show InChI InChI=1S/C20H17NO5/c22-20-18-4-2-1-3-16(18)17-10-9-15(11-19(17)26-20)25-12-13-5-7-14(8-6-13)21(23)24/h5-11H,1-4,12H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76119
PNG
(MLS000582194 | N-(2-methoxy-3-dibenzofuranyl)-6-me...)
Show SMILES COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1ccncc1)oc1ccccc21
Show InChI InChI=1S/C29H21N3O3/c1-17-7-8-23-20(13-17)22(14-24(31-23)18-9-11-30-12-10-18)29(33)32-25-16-27-21(15-28(25)34-2)19-5-3-4-6-26(19)35-27/h3-16H,1-2H3,(H,32,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM57597
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(6-...)
Show SMILES Cc1ccc2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
Show InChI InChI=1S/C24H22N4O3S2/c1-16-6-11-21-22(14-16)32-24(25-21)27-26-23(29)18-7-9-20(10-8-18)33(30,31)28-13-12-17-4-2-3-5-19(17)15-28/h2-11,14H,12-13,15H2,1H3,(H,25,27)(H,26,29)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM66945
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H32N4O4S2/c1-31(2)16-6-17-33(29-30-26-19-24(37-3)11-14-27(26)38-29)28(34)22-9-12-25(13-10-22)39(35,36)32-18-15-21-7-4-5-8-23(21)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76152
PNG
(1-methoxy-6-[2-[(2S)-1-methyl-2-pyrrolidinyl]ethyl...)
Show SMILES COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12
Show InChI InChI=1S/C21H24N2O2S/c1-23-12-4-5-15(23)10-11-22-14-8-9-16-19(13-14)26-18-7-3-6-17(25-2)20(18)21(16)24/h3,6-9,13,15,22H,4-5,10-12H2,1-2H3/t15-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76103
PNG
(2-({2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2,3-dihyd...)
Show SMILES CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12 |t:9,18|
Show InChI InChI=1S/C25H27N5O3S/c1-3-16(2)27-22(32)15-34-25-29-19-12-8-7-11-18(19)23-28-20(24(33)30(23)25)13-21(31)26-14-17-9-5-4-6-10-17/h4-12,16,20H,3,13-15H2,1-2H3,(H,26,31)(H,27,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76104
PNG
(6,7-diethoxy-3-[(1-ethyl-2-pyrrolidinyl)methyl]-2-...)
Show SMILES CCOc1cc2[nH]c(=S)n(CC3CCCN3CC)c(=O)c2cc1OCC
Show InChI InChI=1S/C19H27N3O3S/c1-4-21-9-7-8-13(21)12-22-18(23)14-10-16(24-5-2)17(25-6-3)11-15(14)20-19(22)26/h10-11,13H,4-9,12H2,1-3H3,(H,20,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76124
PNG
(MLS000672050 | N-[4-(4-isobutyryl-1-piperazinyl)ph...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H26N4O5/c1-16(2)22(28)25-13-11-24(12-14-25)18-9-7-17(8-10-18)23-21(27)15-31-20-6-4-3-5-19(20)26(29)30/h3-10,16H,11-15H2,1-2H3,(H,23,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76128
PNG
(2-quinoxalinecarboxylic acid [3-[(E)-3-methoxyprop...)
Show SMILES COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 |c:31,t:5,7|
Show InChI InChI=1S/C29H23N3O5/c1-29(37-28(35)25-17-30-23-12-6-7-13-24(23)31-25)26(33)16-19-15-21(11-8-14-36-2)32(18-22(19)27(29)34)20-9-4-3-5-10-20/h3-13,15-18H,14H2,1-2H3/b11-8+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM63893
PNG
(4-(tert-butyl)-N'-[(1-methyl-1H-pyrazolo[3,4-d...)
Show SMILES Cn1ncc2c(ON=C(N)c3ccc(cc3)C(C)(C)C)ncnc12 |w:7.6|
Show InChI InChI=1S/C17H20N6O/c1-17(2,3)12-7-5-11(6-8-12)14(18)22-24-16-13-9-21-23(4)15(13)19-10-20-16/h5-10H,1-4H3,(H2,18,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76142
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2cc(C)cc(C)c2s1
Show InChI InChI=1S/C30H34N4O3S2/c1-21-18-22(2)28-27(19-21)31-30(38-28)34(16-7-15-32(3)4)29(35)24-10-12-26(13-11-24)39(36,37)33-17-14-23-8-5-6-9-25(23)20-33/h5-6,8-13,18-19H,7,14-17,20H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76148
PNG
(2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl...)
Show SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C25H25N5O2S/c1-2-12-30-24(32)23-22(19-10-6-7-11-20(19)26-23)27-25(30)33-17-21(31)29-15-13-28(14-16-29)18-8-4-3-5-9-18/h2-11,26H,1,12-17H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM66953
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
Show InChI InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76112
PNG
((3E)-6-hexyl-3-[5-(3,4,5-trimethoxyphenyl)-3H-1,3,...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3cc(OC)c(OC)c(OC)c3)c(=O)oc2=CC1=O |c:13,34,t:6|
Show InChI InChI=1S/C26H28N2O7/c1-5-6-7-8-9-15-10-16-11-18(26(30)34-20(16)14-19(15)29)25-28-27-24(35-25)17-12-21(31-2)23(33-4)22(13-17)32-3/h10-14,28H,5-9H2,1-4H3/b25-18+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76127
PNG
(2-thiophenecarboxylic acid [2-cyclohexyl-3-(4-meth...)
Show SMILES COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCCC1 |c:27,t:7,9|
Show InChI InChI=1S/C26H29NO6S/c1-26(33-25(31)21-11-7-13-34-21)22(28)15-17-14-19(10-6-12-23(29)32-2)27(16-20(17)24(26)30)18-8-4-3-5-9-18/h7,11,13-16,18H,3-6,8-10,12H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM50061921
PNG
(4-Methyl-N-(4-phenyl-thiazol-2-yl)-benzenesulfonam...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)18-16-17-15(11-21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76136
PNG
(MLS001125519 | N-[(3-methylsulfanylphenyl)carbamot...)
Show SMILES CSc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
Show InChI InChI=1S/C17H18N2OS2/c1-22-15-9-5-8-14(12-15)18-17(21)19-16(20)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H2,18,19,20,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76137
PNG
(MLS001125520 | N-[(3,5-dimethoxyanilino)-sulfanyli...)
Show SMILES COc1cc(NC(=S)NC(=O)CCc2ccccc2)cc(OC)c1
Show InChI InChI=1S/C18H20N2O3S/c1-22-15-10-14(11-16(12-15)23-2)19-18(24)20-17(21)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H2,19,20,21,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76140
PNG
(1-methoxy-7-[2-(1-methyl-2-pyrrolidinyl)ethylamino...)
Show SMILES COc1cccc2sc3ccc(NCCC4CCCN4C)cc3c(=O)c12
Show InChI InChI=1S/C21H24N2O2S/c1-23-12-4-5-15(23)10-11-22-14-8-9-18-16(13-14)21(24)20-17(25-2)6-3-7-19(20)26-18/h3,6-9,13,15,22H,4-5,10-12H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM64465
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,7...)
Show SMILES COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O5S2/c1-32(2)17-7-18-34(30-31-27-25(38-3)14-15-26(39-4)28(27)40-30)29(35)22-10-12-24(13-11-22)41(36,37)33-19-16-21-8-5-6-9-23(21)20-33/h5-6,8-15H,7,16-20H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76151
PNG
(4-[11-[[(2S)-2-[4-[5-(tert-butoxycarbonylamino)pen...)
Show SMILES CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C35H63N7O7/c1-34(2,3)48-32(46)37-21-17-13-14-18-28-26-42(39-38-28)29(27-43)31(45)36-20-16-12-10-8-7-9-11-15-19-30(44)40-22-24-41(25-23-40)33(47)49-35(4,5)6/h26,29,43H,7-25,27H2,1-6H3,(H,36,45)(H,37,46)/t29-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76098
PNG
(3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2...)
Show SMILES CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(CC)c3nnnn3Cc3ccccc3)cc2c1
Show InChI InChI=1S/C28H30N6O3/c1-3-26(27-30-31-32-34(27)17-20-9-6-5-7-10-20)33(19-24-11-8-14-37-24)18-22-15-21-16-23(36-4-2)12-13-25(21)29-28(22)35/h5-16,26H,3-4,17-19H2,1-2H3,(H,29,35)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76102
PNG
(6-Methoxy-3-{[{1-[1-(2-methoxy-ethyl)-1H-tetrazol-...)
Show SMILES CCC(N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1CCOC
Show InChI InChI=1S/C26H32N6O3/c1-5-24(25-28-29-30-32(25)12-13-34-3)31(16-19-8-6-18(2)7-9-19)17-21-14-20-15-22(35-4)10-11-23(20)27-26(21)33/h6-11,14-15,24H,5,12-13,16-17H2,1-4H3,(H,27,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM38416
PNG
(4-(2-furyl)-6,8-dimethyl-2-piperidin-1-ylpyrimido[...)
Show SMILES Cc1cc(C)n2nc3nc(nc(-c4ccco4)c3c2n1)N1CCCCC1
Show InChI InChI=1S/C19H20N6O/c1-12-11-13(2)25-18(20-12)15-16(14-7-6-10-26-14)21-19(22-17(15)23-25)24-8-4-3-5-9-24/h6-7,10-11H,3-5,8-9H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76114
PNG
(3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-prop...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OCC
Show InChI InChI=1S/C24H27N3O4S/c1-3-30-20-13-18-19(14-21(20)31-4-2)25-24(32)27(23(18)29)12-10-22(28)26-11-9-16-7-5-6-8-17(16)15-26/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,25,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76122
PNG
(2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl...)
Show SMILES Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C22H18ClN5O2S/c1-15-7-12-19(30-15)13-24-25-20(29)14-31-22-27-26-21(16-5-3-2-4-6-16)28(22)18-10-8-17(23)9-11-18/h2-13H,14H2,1H3,(H,25,29)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM46978
PNG
(MLS001029917 | SMR000426872 | [(2-methyl-4-oxidany...)
Show SMILES CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
Show InChI InChI=1S/C16H17NO4S/c1-11(2)14-10-15(12(3)9-16(14)18)17-21-22(19,20)13-7-5-4-6-8-13/h4-10,17-18H,1H2,2-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76126
PNG
((3-butyl-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-...)
Show SMILES CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1c1ccccc1 |c:20,t:4,6|
Show InChI InChI=1S/C23H25NO4/c1-4-6-10-18-13-16-14-20(25)23(3,28-21(26)5-2)22(27)19(16)15-24(18)17-11-8-7-9-12-17/h7-9,11-15H,4-6,10H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76130
PNG
((2-cyclopentyl-7-methyl-6,8-dioxo-3-thiophen-3-yli...)
Show SMILES CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(N(C=C2C1=O)C1CCCC1)c1ccsc1 |c:15,18,t:13|
Show InChI InChI=1S/C25H27NO4S/c1-25(30-24(29)16-6-2-3-7-16)22(27)13-18-12-21(17-10-11-31-15-17)26(14-20(18)23(25)28)19-8-4-5-9-19/h10-16,19H,2-9H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76132
PNG
(MLS001210138 | N-(2,4-Dimethoxy-benzylidene)-N'...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc3ccc(C)cc23)c(OC)c1 |w:8.8|
Show InChI InChI=1S/C20H21N3O2/c1-13-5-8-18-17(9-13)19(10-14(2)22-18)23-21-12-15-6-7-16(24-3)11-20(15)25-4/h5-11H,12H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76133
PNG
(MLS001207566 | N-(2,4-Dimethoxy-benzylidene)-N'...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 |w:8.8|
Show InChI InChI=1S/C20H21N3O3/c1-13-9-19(17-10-15(24-2)7-8-18(17)22-13)23-21-12-14-5-6-16(25-3)11-20(14)26-4/h5-11H,12H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76134
PNG
(4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCCC(=O)NCc3ccccn3)c(=O)c2cc1OCC
Show InChI InChI=1S/C22H26N4O4S/c1-3-29-18-12-16-17(13-19(18)30-4-2)25-22(31)26(21(16)28)11-7-9-20(27)24-14-15-8-5-6-10-23-15/h5-6,8,10,12-13H,3-4,7,9,11,14H2,1-2H3,(H,24,27)(H,25,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76141
PNG
(MLS001157638 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Show InChI InChI=1S/C27H28N4O3/c1-3-31(4-2)16-15-28-26(32)19-11-13-20(14-12-19)29-27(33)22-18-24(25-10-7-17-34-25)30-23-9-6-5-8-21(22)23/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,32)(H,29,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76145
PNG
(4-[4-[(6-chloro-1,3-benzothiazol-2-yl)-[3-(dimethy...)
Show SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C26H32ClN5O5S2/c1-4-37-26(34)30-14-16-31(17-15-30)39(35,36)21-9-6-19(7-10-21)24(33)32(13-5-12-29(2)3)25-28-22-11-8-20(27)18-23(22)38-25/h6-11,18H,4-5,12-17H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM66946
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C28H29FN4O3S2/c1-31(2)15-5-16-33(28-30-25-13-10-23(29)18-26(25)37-28)27(34)21-8-11-24(12-9-21)38(35,36)32-17-14-20-6-3-4-7-22(20)19-32/h3-4,6-13,18H,5,14-17,19H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76105
PNG
(2-(5-{[2-(sec-butylamino)-2-oxoethyl]thio}-3-oxo-2...)
Show SMILES CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12 |t:9,18|
Show InChI InChI=1S/C25H26FN5O3S/c1-3-15(2)28-22(33)14-35-25-30-19-7-5-4-6-18(19)23-29-20(24(34)31(23)25)12-21(32)27-13-16-8-10-17(26)11-9-16/h4-11,15,20H,3,12-14H2,1-2H3,(H,27,32)(H,28,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM39035
PNG
(6-(1-benzimidazolylmethyl)-4-(2,5-dimethylphenyl)-...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:10|
Show InChI InChI=1S/C23H24N4O3/c1-4-30-22(28)20-18(12-27-13-24-17-7-5-6-8-19(17)27)25-23(29)26-21(20)16-11-14(2)9-10-15(16)3/h5-11,13,20-21H,4,12H2,1-3H3,(H,26,29)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76115
PNG
(6,7-diethoxy-3-[2-(4-methyl-1-piperidinyl)ethyl]-2...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCN3CCC(C)CC3)c(=O)c2cc1OCC
Show InChI InChI=1S/C20H29N3O3S/c1-4-25-17-12-15-16(13-18(17)26-5-2)21-20(27)23(19(15)24)11-10-22-8-6-14(3)7-9-22/h12-14H,4-11H2,1-3H3,(H,21,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM43203
PNG
(2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl...)
Show SMILES Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 |w:6.6|
Show InChI InChI=1S/C22H18ClN5O2S/c1-15-7-12-19(30-15)13-24-25-20(29)14-31-22-27-26-21(16-8-10-17(23)11-9-16)28(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,29)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM57596
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(4,...)
Show SMILES Cc1cc(C)c2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
Show InChI InChI=1S/C25H24N4O3S2/c1-16-13-17(2)23-22(14-16)33-25(26-23)28-27-24(30)19-7-9-21(10-8-19)34(31,32)29-12-11-18-5-3-4-6-20(18)15-29/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,28)(H,27,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76129
PNG
((3-butyl-2-cyclohexyl-7-methyl-6,8-dioxoisoquinoli...)
Show SMILES CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1C1CCCCC1 |c:20,t:4,6|
Show InChI InChI=1S/C23H31NO4/c1-4-6-10-18-13-16-14-20(25)23(3,28-21(26)5-2)22(27)19(16)15-24(18)17-11-8-7-9-12-17/h13-15,17H,4-12H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76135
PNG
(MLS001030861 | N-[2-(diethylamino)ethyl]-6-(4-meth...)
Show SMILES CCN(CC)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1cccnc1
Show InChI InChI=1S/C27H35N5O3S/c1-4-31(5-2)16-13-29-27(33)24-18-26(21-7-6-12-28-19-21)30-25-9-8-22(17-23(24)25)36(34,35)32-14-10-20(3)11-15-32/h6-9,12,17-20H,4-5,10-11,13-16H2,1-3H3,(H,29,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76144
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(F)cccc2s1
Show InChI InChI=1S/C28H29FN4O3S2/c1-31(2)16-6-17-33(28-30-26-24(29)9-5-10-25(26)37-28)27(34)21-11-13-23(14-12-21)38(35,36)32-18-15-20-7-3-4-8-22(20)19-32/h3-5,7-14H,6,15-19H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76149
PNG
(4-[benzyl(methyl)sulfamoyl]-N-[3-(dimethylamino)pr...)
Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C29H34N4O4S2/c1-5-37-25-13-9-14-26-27(25)30-29(38-26)33(20-10-19-31(2)3)28(34)23-15-17-24(18-16-23)39(35,36)32(4)21-22-11-7-6-8-12-22/h6-9,11-18H,5,10,19-21H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76100
PNG
(3-[[[1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-2-meth...)
Show SMILES CCOc1ccc2[nH]c(=O)c(CN(CCO)C(C(C)C)c3nnnn3C3CCCCC3)cc2c1
Show InChI InChI=1S/C25H36N6O3/c1-4-34-21-10-11-22-18(15-21)14-19(25(33)26-22)16-30(12-13-32)23(17(2)3)24-27-28-29-31(24)20-8-6-5-7-9-20/h10-11,14-15,17,20,23,32H,4-9,12-13,16H2,1-3H3,(H,26,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76101
PNG
(3-[[1-(1-benzyltetrazol-5-yl)propyl-(oxolan-2-ylme...)
Show SMILES CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C27H32N6O3/c1-3-25(26-29-30-31-33(26)16-19-8-5-4-6-9-19)32(18-23-10-7-13-36-23)17-21-14-20-15-22(35-2)11-12-24(20)28-27(21)34/h4-6,8-9,11-12,14-15,23,25H,3,7,10,13,16-18H2,1-2H3,(H,28,34)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76107
PNG
(1-butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-py...)
Show SMILES CCCSc1nc(O)c(CC)c(=O)n1C(C)CC
Show InChI InChI=1S/C13H22N2O2S/c1-5-8-18-13-14-11(16)10(7-3)12(17)15(13)9(4)6-2/h9,16H,5-8H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76108
PNG
(1-(2-methoxyphenyl)-2-methylsulfanyl-6-oxidanyl-py...)
Show SMILES COc1ccccc1-n1c(SC)nc(O)cc1=O |(3.08,-2.31,;4.41,-1.54,;5.75,-2.31,;5.75,-3.85,;7.08,-4.62,;8.41,-3.85,;8.41,-2.31,;7.08,-1.54,;7.08,,;8.41,.77,;9.75,,;11.08,.77,;8.41,2.31,;7.08,3.08,;7.08,4.62,;5.75,2.31,;5.75,.77,;4.41,,)|
Show InChI InChI=1S/C12H12N2O3S/c1-17-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)18-2/h3-7,15H,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76113
PNG
(3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl...)
Show SMILES COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(C(C)C)c3nnnn3Cc3ccccc3)cc2c1
Show InChI InChI=1S/C28H30N6O3/c1-19(2)26(27-30-31-32-34(27)16-20-8-5-4-6-9-20)33(18-24-10-7-13-37-24)17-22-14-21-15-23(36-3)11-12-25(21)29-28(22)35/h4-15,19,26H,16-18H2,1-3H3,(H,29,35)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM51796
PNG
((5Z)-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2...)
Show SMILES CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O |c:5|
Show InChI InChI=1S/C23H20N2OS3/c1-3-25-19(15-14-18-22(26)24(2)23(27)28-18)29-21(17-12-8-5-9-13-17)20(25)16-10-6-4-7-11-16/h4-15H,3H2,1-2H3/b18-14-,19-15-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76117
PNG
(2-naphthalenesulfonic acid [(Z)-[amino(pyridin-4-y...)
Show SMILES NC(=NOS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1 |w:2.2|
Show InChI InChI=1S/C16H13N3O3S/c17-16(13-7-9-18-10-8-13)19-22-23(20,21)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H2,17,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76120
PNG
(MLS000582175 | N-(2-methoxy-3-dibenzofuranyl)-6-me...)
Show SMILES COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1cccnc1)oc1ccccc21
Show InChI InChI=1S/C29H21N3O3/c1-17-9-10-23-20(12-17)22(13-24(31-23)18-6-5-11-30-16-18)29(33)32-25-15-27-21(14-28(25)34-2)19-7-3-4-8-26(19)35-27/h3-16H,1-2H3,(H,32,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM70670
PNG
((Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-nitro-2...)
Show SMILES Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)[N+]([O-])=O)C#N |w:11.13|
Show InChI InChI=1S/C15H10N4O3/c1-9-2-4-12-13(6-9)18-15(17-12)10(8-16)7-11-3-5-14(22-11)19(20)21/h2-7H,1H3,(H,17,18)/b10-7-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76143
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H32N4O4S2/c1-31(2)17-7-18-33(29-30-27-25(37-3)10-6-11-26(27)38-29)28(34)22-12-14-24(15-13-22)39(35,36)32-19-16-21-8-4-5-9-23(21)20-32/h4-6,8-15H,7,16-20H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76147
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(C)cccc2s1
Show InChI InChI=1S/C29H32N4O3S2/c1-21-8-6-11-26-27(21)30-29(37-26)33(18-7-17-31(2)3)28(34)23-12-14-25(15-13-23)38(35,36)32-19-16-22-9-4-5-10-24(22)20-32/h4-6,8-15H,7,16-20H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM66950
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O3S2/c1-4-22-10-15-27-28(20-22)38-30(31-27)34(18-7-17-32(2)3)29(35)24-11-13-26(14-12-24)39(36,37)33-19-16-23-8-5-6-9-25(23)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76150
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-25-12-15-27-28(20-25)39-30(31-27)34(18-7-17-32(2)3)29(35)23-10-13-26(14-11-23)40(36,37)33-19-16-22-8-5-6-9-24(22)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76109
PNG
(2-[(5-propylisoxazole-3-carbonyl)amino]-4,5,6,7-te...)
Show SMILES CCCc1cc(no1)C(=O)Nc1sc2CCCCc2c1C(=O)OCC
Show InChI InChI=1S/C18H22N2O4S/c1-3-7-11-10-13(20-24-11)16(21)19-17-15(18(22)23-4-2)12-8-5-6-9-14(12)25-17/h10H,3-9H2,1-2H3,(H,19,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM50895
PNG
((4Z)-4-[[5-(2,5-dichlorophenyl)-2-furanyl]methylid...)
Show SMILES CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
Show InChI InChI=1S/C15H9Cl2NO3/c1-8-11(15(19)21-18-8)7-10-3-5-14(20-10)12-6-9(16)2-4-13(12)17/h2-7H,1H3/b11-7-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM8551
PNG
(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-4-...)
Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C14H10ClN3OS/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10/h1-8H,9H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76121
PNG
(MLS000578037 | N-(2-methoxy-3-dibenzofuranyl)-3-ni...)
Show SMILES COc1cc2c(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)oc1ccccc21
Show InChI InChI=1S/C20H14N2O5/c1-26-19-10-15-14-7-2-3-8-17(14)27-18(15)11-16(19)21-20(23)12-5-4-6-13(9-12)22(24)25/h2-11H,1H3,(H,21,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM45657
PNG
(MLS000682486 | N-[2-[benzyl(methyl)amino]ethyl]-6-...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
Show InChI InChI=1S/C31H35N5O3S/c1-23-13-17-36(18-14-23)40(38,39)25-11-12-28-26(20-25)27(21-30(34-28)29-10-6-7-15-32-29)31(37)33-16-19-35(2)22-24-8-4-3-5-9-24/h3-12,15,20-21,23H,13-14,16-19,22H2,1-2H3,(H,33,37)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76125
PNG
((3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) cyclop...)
Show SMILES CCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:24,t:4,6|
Show InChI InChI=1S/C20H24O5/c1-3-4-9-15-10-14-11-17(21)20(2,18(22)16(14)12-24-15)25-19(23)13-7-5-6-8-13/h10-13H,3-9H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76139
PNG
(6-(4-methylpiperidin-1-yl)sulfonyl-2-(4-phenylpipe...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2nc(ccc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N4O2S/c1-20-11-13-29(14-12-20)32(30,31)23-8-9-24-21(19-23)7-10-25(26-24)28-17-15-27(16-18-28)22-5-3-2-4-6-22/h2-10,19-20H,11-18H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM51939
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM76146
PNG
(MLS001239380 | N-(6-bromanyl-1,3-benzothiazol-2-yl...)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C25H31BrN4O3S2/c1-18-7-4-5-16-30(18)35(32,33)21-11-8-19(9-12-21)24(31)29(15-6-14-28(2)3)25-27-22-13-10-20(26)17-23(22)34-25/h8-13,17-18H,4-7,14-16H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))		BDBM58876
PNG
(MLS001066043 | N-butyl-2-[3-(4-methoxyphenyl)pheny...)
Show SMILES CCCCNc1c(nc2ccc(C)cn12)-c1cccc(c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H27N3O/c1-4-5-15-26-25-24(27-23-14-9-18(2)17-28(23)25)21-8-6-7-20(16-21)19-10-12-22(29-3)13-11-19/h6-14,16-17,26H,4-5,15H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%