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Patent code US9359337

Compile Data Set for Download or QSAR
Found 12 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))
BDBM234880
PNG
(US9359337, 11)
Show SMILES CC(C)N(CC(=O)NC[C@H]1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F4N3O4S/c1-16(2)30(35(32,33)21-9-5-18(24)6-10-21)15-22(31)28-13-20-14-29(11-12-34-20)19-7-3-17(4-8-19)23(25,26)27/h3-10,16,20H,11-15H2,1-2H3,(H,28,31)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 151n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234877
PNG
(US9359337, 8)
Show SMILES CC(C)N(CC(=O)NCC1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F4N3O4S/c1-16(2)30(35(32,33)21-9-5-18(24)6-10-21)15-22(31)28-13-20-14-29(11-12-34-20)19-7-3-17(4-8-19)23(25,26)27/h3-10,16,20H,11-15H2,1-2H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 193n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234878
PNG
(US9359337, 9)
Show SMILES CCN(CC(=O)NCC1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H25F4N3O4S/c1-2-29(34(31,32)20-9-5-17(23)6-10-20)15-21(30)27-13-19-14-28(11-12-33-19)18-7-3-16(4-8-18)22(24,25)26/h3-10,19H,2,11-15H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 226n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234871
PNG
(US9359337, 2)
Show SMILES CC(C)N(CC(=O)NCC1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H29F4N3O3S/c1-17(2)31(35(33,34)22-11-7-20(25)8-12-22)16-23(32)29-14-18-4-3-13-30(15-18)21-9-5-19(6-10-21)24(26,27)28/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 233n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234874
PNG
(US9359337, 5)
Show SMILES CC(C)N(CC(=O)NC[C@@H]1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H29F4N3O3S/c1-17(2)31(35(33,34)22-11-7-20(25)8-12-22)16-23(32)29-14-18-4-3-13-30(15-18)21-9-5-19(6-10-21)24(26,27)28/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,29,32)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 307n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234881
PNG
(US9359337, 12)
Show SMILES CC(C)N(CC(=O)NCC1CN(CCO1)c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F4N4O4S/c1-15(2)30(35(32,33)19-6-4-17(23)5-7-19)14-21(31)28-12-18-13-29(9-10-34-18)20-8-3-16(11-27-20)22(24,25)26/h3-8,11,15,18H,9-10,12-14H2,1-2H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 385n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234873
PNG
(US9359337, 4)
Show SMILES CC(C)N(CC(=O)NCC1CCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F4N3O3S/c1-16(2)30(34(32,33)21-9-5-19(24)6-10-21)15-22(31)28-13-17-11-12-29(14-17)20-7-3-18(4-8-20)23(25,26)27/h3-10,16-17H,11-15H2,1-2H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 425n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234870
PNG
(US9359337, 1)
Show SMILES CCN(CC(=O)NCC1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F4N3O3S/c1-2-30(34(32,33)21-11-7-19(24)8-12-21)16-22(31)28-14-17-4-3-13-29(15-17)20-9-5-18(6-10-20)23(25,26)27/h5-12,17H,2-4,13-16H2,1H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 494n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234875
PNG
(US9359337, 6)
Show SMILES CC(C)N(CC(=O)NC[C@H]1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H29F4N3O3S/c1-17(2)31(35(33,34)22-11-7-20(25)8-12-22)16-23(32)29-14-18-4-3-13-30(15-18)21-9-5-19(6-10-21)24(26,27)28/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,29,32)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 504n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234872
PNG
(US9359337, 3)
Show SMILES CCN(CC(=O)NCC1CCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H25F4N3O3S/c1-2-29(33(31,32)20-9-5-18(23)6-10-20)15-21(30)27-13-16-11-12-28(14-16)19-7-3-17(4-8-19)22(24,25)26/h3-10,16H,2,11-15H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 634n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234879
PNG
(US9359337, 10)
Show SMILES CC(C)N(CC(=O)NC[C@@H]1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27F4N3O4S/c1-16(2)30(35(32,33)21-9-5-18(24)6-10-21)15-22(31)28-13-20-14-29(11-12-34-20)19-7-3-17(4-8-19)23(25,26)27/h3-10,16,20H,11-15H2,1-2H3,(H,28,31)/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.31E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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


(Homo sapiens (Human))
BDBM234876
PNG
(US9359337, 7)
Show SMILES CN(CC(=O)NCC1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F4N3O4S/c1-27(33(30,31)19-8-4-16(22)5-9-19)14-20(29)26-12-18-13-28(10-11-32-18)17-6-2-15(3-7-17)21(23,24)25/h2-9,18H,10-14H2,1H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.52E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-...


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