BindingDB logo
myBDB logout

Patent code US8754227

Compile Data Set for Download or QSAR
Found 15 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 3A4


(Homo sapiens (Human))
BDBM124184
PNG
(US8754227, 16)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F5N4O/c23-16-4-1-14(2-5-16)15-3-8-20(29-10-15)22(26,27)21(32,11-31-13-28-12-30-31)18-7-6-17(24)9-19(18)25/h1-10,12-13,32H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM124186
PNG
(US8754227, 18)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H15F7N4O2/c24-16-4-7-18(19(25)9-16)21(35,11-34-13-31-12-33-34)22(26,27)20-8-3-15(10-32-20)14-1-5-17(6-2-14)36-23(28,29)30/h1-10,12-13,35H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM124186
PNG
(US8754227, 18)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H15F7N4O2/c24-16-4-7-18(19(25)9-16)21(35,11-34-13-31-12-33-34)22(26,27)20-8-3-15(10-32-20)14-1-5-17(6-2-14)36-23(28,29)30/h1-10,12-13,35H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.80E+3n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM124184
PNG
(US8754227, 16)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F5N4O/c23-16-4-1-14(2-5-16)15-3-8-20(29-10-15)22(26,27)21(32,11-31-13-28-12-30-31)18-7-6-17(24)9-19(18)25/h1-10,12-13,32H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.10E+3n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM124184
PNG
(US8754227, 16)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F5N4O/c23-16-4-1-14(2-5-16)15-3-8-20(29-10-15)22(26,27)21(32,11-31-13-28-12-30-31)18-7-6-17(24)9-19(18)25/h1-10,12-13,32H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.30E+3n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM124185
PNG
(US8754227, 17)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C24H17F7N4O2/c25-17-4-7-19(20(26)9-17)22(36,11-35-14-32-13-34-35)24(30,31)21-8-3-16(10-33-21)15-1-5-18(6-2-15)37-12-23(27,28)29/h1-10,13-14,36H,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.80E+3n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM124186
PNG
(US8754227, 18)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H15F7N4O2/c24-16-4-7-18(19(25)9-16)21(35,11-34-13-31-12-33-34)22(26,27)20-8-3-15(10-32-20)14-1-5-17(6-2-14)36-23(28,29)30/h1-10,12-13,35H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM124182
PNG
(US10221160, Example 1 | US11247981, Example 1 | US...)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F4N6O/c23-17-6-7-18(19(24)9-17)21(33,12-32-13-29-30-31-32)22(25,26)20-8-5-16(11-28-20)15-3-1-14(10-27)2-4-15/h1-9,11,13,33H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM124182
PNG
(US10221160, Example 1 | US11247981, Example 1 | US...)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F4N6O/c23-17-6-7-18(19(24)9-17)21(33,12-32-13-29-30-31-32)22(25,26)20-8-5-16(11-28-20)15-3-1-14(10-27)2-4-15/h1-9,11,13,33H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.50E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM124185
PNG
(US8754227, 17)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C24H17F7N4O2/c25-17-4-7-19(20(26)9-17)22(36,11-35-14-32-13-34-35)24(30,31)21-8-3-16(10-33-21)15-1-5-18(6-2-15)37-12-23(27,28)29/h1-10,13-14,36H,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.00E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM124185
PNG
(US8754227, 17)
Show SMILES OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C24H17F7N4O2/c25-17-4-7-19(20(26)9-17)22(36,11-35-14-32-13-34-35)24(30,31)21-8-3-16(10-33-21)15-1-5-18(6-2-15)37-12-23(27,28)29/h1-10,13-14,36H,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.00E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM124183
PNG
(US10221160, Example 2 | US11247981, Example 2 | US...)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>6.00E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM124182
PNG
(US10221160, Example 1 | US11247981, Example 1 | US...)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F4N6O/c23-17-6-7-18(19(24)9-17)21(33,12-32-13-29-30-31-32)22(25,26)20-8-5-16(11-28-20)15-3-1-14(10-27)2-4-15/h1-9,11,13,33H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>6.00E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM124183
PNG
(US10221160, Example 2 | US11247981, Example 2 | US...)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>6.00E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM124183
PNG
(US10221160, Example 2 | US11247981, Example 2 | US...)
Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>6.00E+4n/an/an/an/an/an/a



Viamet Pharmaceuticals, Inc.

US Patent


Assay Description
Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...


US Patent US8754227 (2014)


BindingDB Entry DOI: 10.7270/Q2B56HFR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%