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Patent code US9359341

Compile Data Set for Download or QSAR
Found 11 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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM235143
PNG
(US9359341, Formula B)
Show SMILES Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O
Show InChI InChI=1S/C20H18ClN3O6S/c21-17-6-5-16(31-17)19(27)22(12-25)9-15-10-24(20(28)30-15)14-3-1-13(2-4-14)23-7-8-29-11-18(23)26/h1-6,12,15H,7-11H2/t15-/m0/s1
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UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM235143
PNG
(US9359341, Formula B)
Show SMILES Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O
Show InChI InChI=1S/C20H18ClN3O6S/c21-17-6-5-16(31-17)19(27)22(12-25)9-15-10-24(20(28)30-15)14-3-1-13(2-4-14)23-7-8-29-11-18(23)26/h1-6,12,15H,7-11H2/t15-/m0/s1
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UniChem
US Patent
n/an/a 5.70E+3n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM235143
PNG
(US9359341, Formula B)
Show SMILES Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O
Show InChI InChI=1S/C20H18ClN3O6S/c21-17-6-5-16(31-17)19(27)22(12-25)9-15-10-24(20(28)30-15)14-3-1-13(2-4-14)23-7-8-29-11-18(23)26/h1-6,12,15H,7-11H2/t15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM235143
PNG
(US9359341, Formula B)
Show SMILES Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O
Show InChI InChI=1S/C20H18ClN3O6S/c21-17-6-5-16(31-17)19(27)22(12-25)9-15-10-24(20(28)30-15)14-3-1-13(2-4-14)23-7-8-29-11-18(23)26/h1-6,12,15H,7-11H2/t15-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.20E+3n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM7841
PNG
(BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...)
Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1
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US Patent
n/an/a 9.70E+3n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM7841
PNG
(BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...)
Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1
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US Patent
n/an/a 1.32E+4n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM7841
PNG
(BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...)
Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
n/an/a 1.32E+4n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM7841
PNG
(BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...)
Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1
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US Patent
n/an/a 1.67E+4n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM7841
PNG
(BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...)
Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1
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US Patent
n/an/a 1.89E+4n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM235143
PNG
(US9359341, Formula B)
Show SMILES Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O
Show InChI InChI=1S/C20H18ClN3O6S/c21-17-6-5-16(31-17)19(27)22(12-25)9-15-10-24(20(28)30-15)14-3-1-13(2-4-14)23-7-8-29-11-18(23)26/h1-6,12,15H,7-11H2/t15-/m0/s1
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US Patent
n/an/a 2.24E+4n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM235143
PNG
(US9359341, Formula B)
Show SMILES Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O
Show InChI InChI=1S/C20H18ClN3O6S/c21-17-6-5-16(31-17)19(27)22(12-25)9-15-10-24(20(28)30-15)14-3-1-13(2-4-14)23-7-8-29-11-18(23)26/h1-6,12,15H,7-11H2/t15-/m0/s1
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US Patent
n/an/a 2.53E+4n/an/an/an/an/an/a



WANBURY LTD.

US Patent


Assay Description
Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...


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