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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II receptor' and Ligand = 'BDBM50049195'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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1.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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n/an/a 1.5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 1


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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n/an/a 1.5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Sar1,Leu8]angiotensin II from human AT1 receptor expressed in african green monkey COS7 cells


ACS Med Chem Lett 6: 178-82 (2015)


Article DOI: 10.1021/ml500427r
BindingDB Entry DOI: 10.7270/Q2HD7X98
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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n/an/a 4.20n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 6: 178-82 (2015)


Article DOI: 10.1021/ml500427r
BindingDB Entry DOI: 10.7270/Q2HD7X98
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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n/an/a 4.20n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Angiotensin II receptor, type 2 was measured through displacement of [125I]-Ang II in pig uterus myometrial ...


J Med Chem 47: 1536-46 (2004)


Article DOI: 10.1021/jm031031i
BindingDB Entry DOI: 10.7270/Q2NS0TBV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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n/an/a 4.20n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.084
BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049195
PNG
(3-[(2'-(butylsulfonylcarbamate)-3'-propyl-1,1'-bip...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
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Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin II receptor, type 2


J Med Chem 39: 625-56 (1996)


Article DOI: 10.1021/jm9504722
BindingDB Entry DOI: 10.7270/Q29P3299
More data for this
Ligand-Target Pair