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Patent code US10947196

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM485867
PNG
(US10947196, Compound 03-3)
Show SMILES CC(C)(C)NC[C@H](O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C12H17F3N2O/c1-11(2,3)16-7-9(18)8-5-4-6-10(17-8)12(13,14)15/h4-6,9,16,18H,7H2,1-3H3/t9-/m0/s1
PDB
MMDB

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US Patent
n/an/an/an/a<10n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM485956
PNG
(US10947196, Compound 03-4)
Show SMILES Cc1cccnc1[C@@H](O)CNC(C)(C)C
Show InChI InChI=1S/C12H20N2O/c1-9-6-5-7-13-11(9)10(15)8-14-12(2,3)4/h5-7,10,14-15H,8H2,1-4H3/t10-/m0/s1
PDB

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n/an/an/an/a>1.00E+3n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM485866
PNG
(US10947196, Compound 03-2)
Show SMILES CC(C)(C)NC[C@H](O)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C12H17F3N2O/c1-11(2,3)17-7-10(18)9-6-8(4-5-16-9)12(13,14)15/h4-6,10,17-18H,7H2,1-3H3/t10-/m0/s1
PDB
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n/an/an/an/a 550n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM485956
PNG
(US10947196, Compound 03-4)
Show SMILES Cc1cccnc1[C@@H](O)CNC(C)(C)C
Show InChI InChI=1S/C12H20N2O/c1-9-6-5-7-13-11(9)10(15)8-14-12(2,3)4/h5-7,10,14-15H,8H2,1-4H3/t10-/m0/s1
PDB
MMDB

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US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM485865
PNG
(US10947196, Compound 03-1)
Show SMILES CC(C)(C)NC[C@H](O)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C12H17F3N2O/c1-11(2,3)17-7-9(18)10-8(12(13,14)15)5-4-6-16-10/h4-6,9,17-18H,7H2,1-3H3/t9-/m0/s1
PDB
MMDB

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US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM485866
PNG
(US10947196, Compound 03-2)
Show SMILES CC(C)(C)NC[C@H](O)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C12H17F3N2O/c1-11(2,3)17-7-10(18)9-6-8(4-5-16-9)12(13,14)15/h4-6,10,17-18H,7H2,1-3H3/t10-/m0/s1
PDB

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n/an/an/an/a>1.00E+3n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM485867
PNG
(US10947196, Compound 03-3)
Show SMILES CC(C)(C)NC[C@H](O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C12H17F3N2O/c1-11(2,3)16-7-9(18)8-5-4-6-10(17-8)12(13,14)15/h4-6,9,16,18H,7H2,1-3H3/t9-/m0/s1
PDB

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n/an/an/an/a 55n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM485865
PNG
(US10947196, Compound 03-1)
Show SMILES CC(C)(C)NC[C@H](O)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C12H17F3N2O/c1-11(2,3)17-7-9(18)10-8(12(13,14)15)5-4-6-16-10/h4-6,9,17-18H,7H2,1-3H3/t9-/m0/s1
PDB

Reactome pathway
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UniProtKB/SwissProt

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US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



CuraSen Therapeutics, Inc.

US Patent


Assay Description
Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1 stimulation buffer 1 (Cisbio Part #64SB1FDD...


US Patent US10947196 (2021)

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