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Patent code US9333197

Compile Data Set for Download or QSAR
Found 9 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))		BDBM50134248
PNG
(Alpha-Hydroxy-Midazolam | CHEMBL1188 | US9333197, ...)
Show SMILES OCc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:7|
Show InChI InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2
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US Patent
n/an/a 2.70E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.26%) are incubated with human liver microsome...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM224815
PNG
(US9333197, 6beta Hydroxytestosterone)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:9|
Show InChI InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1
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US Patent
n/an/a 1.05E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.275%) are incubated with human liver microsom...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM224023
PNG
(Dextrorphan)
Show SMILES CN1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc31 |THB:0:1:9:18.11.12|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16-,17-/m1/s1
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n/an/a 1.77E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.25%) are incubated with human liver microsome...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))		BDBM224811
PNG
(US9333197, Hydroxybupropion)
Show SMILES CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM224812
PNG
(US9333197, 6alpha-Hydroxypaclitaxel)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4[C@@H](O)[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1
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n/an/a 2.16E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM224814
PNG
(US9333197, 4-Hydroxymephenytoin)
Show SMILES CCC1(NC(=O)N(C)C1=O)c1ccc(O)cc1
Show InChI InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.25%) are incubated with human liver microsome...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM224813
PNG
(US9333197, 4-Hydroxytolbutamide)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.25%) are incubated with human liver microsome...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))		BDBM195591
PNG
(US9216974,Resorufin | US9333197, Resorufin)
Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
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n/an/a>2.50E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes...

US Patent US9333197 (2016)


BindingDB Entry DOI: 10.7270/Q2FT8JW7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%