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Patent code US9394304

Compile Data Set for Download or QSAR
Found 18 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
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237153
PNG
(US9394304, 15)
Show SMILES CC(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(c1)C#C
Show InChI InChI=1S/C19H16F3N3/c1-4-13-6-5-7-14(10-13)17-18(23-12(2)3)25-11-15(19(20,21)22)8-9-16(25)24-17/h1,5-12,23H,2-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 82n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237150
PNG
(US9394304, 12)
Show SMILES CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(c1)C#C
Show InChI InChI=1S/C20H18F3N3/c1-5-13-7-6-8-14(11-13)17-18(25-19(2,3)4)26-12-15(20(21,22)23)9-10-16(26)24-17/h1,6-12,25H,2-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237139
PNG
(US9394304, 1)
Show SMILES CC(C)Nc1c(nc2ccc(Br)cn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15BrClN3/c1-10(2)19-16-15(11-4-3-5-13(18)8-11)20-14-7-6-12(17)9-21(14)16/h3-10,19H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 132n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237154
PNG
(US9394304, 16)
Show SMILES CC(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H15ClF3N3/c1-10(2)22-16-15(11-4-3-5-13(18)8-11)23-14-7-6-12(9-24(14)16)17(19,20)21/h3-10,22H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 143n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237140
PNG
(US9394304, 2)
Show SMILES CC(C)Nc1c(nc2ccc(Cl)cn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15Cl2N3/c1-10(2)19-16-15(11-4-3-5-12(17)8-11)20-14-7-6-13(18)9-21(14)16/h3-10,19H,1-2H3
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 195n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237148
PNG
(US9394304, 10)
Show SMILES Cc1cc(Br)cn2c(NC(C)(C)C)c(nc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H19BrClN3/c1-11-8-13(19)10-23-16(11)21-15(17(23)22-18(2,3)4)12-6-5-7-14(20)9-12/h5-10,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 221n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237147
PNG
(US9394304, 9)
Show SMILES Cc1cc2nc(c(NC(C)(C)C)n2cc1Br)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H19BrClN3/c1-11-8-15-21-16(12-6-5-7-13(20)9-12)17(22-18(2,3)4)23(15)10-14(11)19/h5-10,22H,1-4H3
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 229n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237155
PNG
(US9394304, 17)
Show SMILES CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(Br)c1
Show InChI InChI=1S/C18H17BrF3N3/c1-17(2,3)24-16-15(11-5-4-6-13(19)9-11)23-14-8-7-12(10-25(14)16)18(20,21)22/h4-10,24H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 264n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237143
PNG
(US9394304, 5)
Show SMILES CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(c1)C#N
Show InChI InChI=1S/C19H17F3N4/c1-18(2,3)25-17-16(13-6-4-5-12(9-13)10-23)24-15-8-7-14(11-26(15)17)19(20,21)22/h4-9,11,25H,1-3H3
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 854n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237146
PNG
(US9394304, 8)
Show SMILES CC(C)(C)Nc1c(nc2c(Br)cc(Cl)cn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H16BrCl2N3/c1-17(2,3)22-16-14(10-5-4-6-11(19)7-10)21-15-13(18)8-12(20)9-23(15)16/h4-9,22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.09E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237151
PNG
(US9394304, 13)
Show SMILES CC(C)(C)Nc1c(nc2cc(ccn12)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H17ClF3N3/c1-17(2,3)24-16-15(11-5-4-6-13(19)9-11)23-14-10-12(18(20,21)22)7-8-25(14)16/h4-10,24H,1-3H3
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.12E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237142
PNG
(US9394304, 4)
Show SMILES CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(F)c1
Show InChI InChI=1S/C18H17F4N3/c1-17(2,3)24-16-15(11-5-4-6-13(19)9-11)23-14-8-7-12(10-25(14)16)18(20,21)22/h4-10,24H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.33E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237149
PNG
(US9394304, 11)
Show SMILES CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H16Cl2F3N3/c1-17(2,3)25-16-15(10-6-12(19)8-13(20)7-10)24-14-5-4-11(9-26(14)16)18(21,22)23/h4-9,25H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.33E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237145
PNG
(US9394304, 7)
Show SMILES Clc1cccc(c1)-c1nc2ccc(Cl)cn2c1NC1CC1
Show InChI InChI=1S/C16H13Cl2N3/c17-11-3-1-2-10(8-11)15-16(19-13-5-6-13)21-9-12(18)4-7-14(21)20-15/h1-4,7-9,13,19H,5-6H2
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 1.59E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237152
PNG
(US9394304, 14)
Show SMILES CCNc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClF3N3/c1-2-21-15-14(10-4-3-5-12(17)8-10)22-13-7-6-11(9-23(13)15)16(18,19)20/h3-9,21H,2H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
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PC sid
UniChem
US Patent
n/an/a 2.07E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237144
PNG
(US9394304, 6)
Show SMILES CC(C)(C)Nc1c(nc2ccc(Cl)cn12)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H17ClN4/c1-18(2,3)22-17-16(13-6-4-5-12(9-13)10-20)21-15-8-7-14(19)11-23(15)17/h4-9,11,22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.13E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237141
PNG
(US9394304, 3)
Show SMILES COC(=O)CNc1c(nc2ccc(F)cn12)-c1cccc(F)c1
Show InChI InChI=1S/C16H13F2N3O2/c1-23-14(22)8-19-16-15(10-3-2-4-11(17)7-10)20-13-6-5-12(18)9-21(13)16/h2-7,9,19H,8H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.30E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM237156
PNG
(US9394304, 18)
Show SMILES CC(C)(C)Nc1c(nc2ccc(F)cn12)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H17FN4/c1-18(2,3)22-17-16(13-6-4-5-12(9-13)10-20)21-15-8-7-14(19)11-23(15)17/h4-9,11,22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.04E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&t...


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