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Patent code US9714224

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
Angiotensin II receptor


(HUMAN)
BDBM263926
PNG
(US9714224, 40 | US9714224, 41)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(=O)NS(=O)(=O)N(C)C)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35N3O6S/c1-36(2)44(40,41)35-33(38)29-21-28-27(19-20-30(42-3)32(28)43-23-24-13-7-4-8-14-24)22-37(29)34(39)31(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20,29,31H,21-23H2,1-3H3,(H,35,38)/t29-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem
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US Patent
n/an/a 10.9n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM263925
PNG
(US9714224, 34)
Show SMILES OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ccc(O)c2OCc1ccccc1
Show InChI InChI=1S/C31H27NO5/c33-27-17-16-24-19-32(30(34)28(22-12-6-2-7-13-22)23-14-8-3-9-15-23)26(31(35)36)18-25(24)29(27)37-20-21-10-4-1-5-11-21/h1-17,26,28,33H,18-20H2,(H,35,36)/t26-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
US Patent
n/an/a 33.5n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM263928
PNG
(US9714224, 48)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccccc1)C(=O)NS(=O)(=O)N(C)C)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H35N3O6S/c1-38(2)46(42,43)37-35(40)31-24-30-29(21-22-32(44-3)34(30)45-23-13-16-26-14-7-4-8-15-26)25-39(31)36(41)33(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h4-12,14-15,17-22,31,33H,23-25H2,1-3H3,(H,37,40)/t31-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
US Patent
n/an/a 79.5n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM263930
PNG
(US9714224, 50)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H29NO5/c1-39-30-20-19-27-23-35(33(36)31(25-15-7-3-8-16-25)26-17-9-4-10-18-26)29(34(37)38)22-28(27)32(30)40-21-11-14-24-12-5-2-6-13-24/h2-10,12-13,15-20,29,31H,21-23H2,1H3,(H,37,38)/t29-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
US Patent
n/an/a 96.2n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM263931
PNG
(US9714224, 51)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccc(F)cc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H28FNO5/c1-40-30-19-16-26-22-36(33(37)31(24-10-4-2-5-11-24)25-12-6-3-7-13-25)29(34(38)39)21-28(26)32(30)41-20-8-9-23-14-17-27(35)18-15-23/h2-7,10-19,29,31H,20-22H2,1H3,(H,38,39)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
US Patent
n/an/a 133n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM263929
PNG
(US9714224, 49)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H34FN3O6S/c1-39(2)47(43,44)38-35(41)31-23-30-28(18-21-32(45-3)34(30)46-22-10-11-25-16-19-29(37)20-17-25)24-40(31)36(42)33(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-9,12-21,31,33H,22-24H2,1-3H3,(H,38,41)/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
US Patent
n/an/a 206n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM263923
PNG
(US9714221, Example 219N/A*: Not available. Prodrug...)
Show SMILES CC(F)(F)c1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O
Show InChI InChI=1S/C33H34F3NO3/c1-33(35,36)26-11-6-22(7-12-26)29-5-2-4-24-20-25(32(38)39)10-15-30(24)31(29)23-8-13-27(14-9-23)40-28-16-19-37(21-28)18-3-17-34/h6-15,20,28H,2-5,16-19,21H2,1H3,(H,38,39)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
US Patent
n/an/a 431n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM263926
PNG
(US9714224, 40 | US9714224, 41)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(=O)NS(=O)(=O)N(C)C)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35N3O6S/c1-36(2)44(40,41)35-33(38)29-21-28-27(19-20-30(42-3)32(28)43-23-24-13-7-4-8-14-24)22-37(29)34(39)31(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20,29,31H,21-23H2,1-3H3,(H,35,38)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
UniChem
Article
US Patent
n/an/a 1.79E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
120 μL membrane (5 mg protein/well) was incubated with 15 μL of [125I]-CGP42112A and 15 μL of compound at RT for 1.5 hrs. The binding ...


US Patent US9714224 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%