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PubMed code 25708617

Compile data set for download or QSAR
Found 29 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))		BDBM50065241
PNG
(CHEMBL2207044)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCOC)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C39H67NO7/c1-10-44-33(35(5,6)42)25-21-24(2)30-31(46-25)32(41)37(8)27-12-11-26-34(3,4)28(47-29-22-40(17-19-43-9)18-20-45-29)13-14-38(26)23-39(27,38)16-15-36(30,37)7/h24-33,41-42H,10-23H2,1-9H3/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065108
PNG
(CHEMBL3403818)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5COC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H70N2O7/c1-9-48-36(38(5,6)46)28-18-25(2)33-34(50-28)35(45)40(8)30-11-10-29-37(3,4)31(12-13-41(29)24-42(30,41)15-14-39(33,40)7)51-32-21-43(16-17-49-32)26-19-44(20-26)27-22-47-23-27/h25-36,45-46H,9-24H2,1-8H3/t25-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065197
PNG
(CHEMBL3403824)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6COC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H72N2O7/c1-9-49-37(39(5,6)47)29-18-26(2)34-35(51-29)36(46)41(8)31-11-10-30-38(3,4)32(12-13-42(30)25-43(31,42)15-14-40(34,41)7)52-33-22-44(16-17-50-33)19-27-20-45(21-27)28-23-48-24-28/h26-37,46-47H,9-25H2,1-8H3/t26-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065193
PNG
(CHEMBL3403820)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CC(C)(C)O)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H74N2O7/c1-11-49-36(39(7,8)48)28-20-26(2)33-34(51-28)35(46)41(10)30-13-12-29-38(5,6)31(14-15-42(29)24-43(30,42)17-16-40(33,41)9)52-32-23-45(18-19-50-32)27-21-44(22-27)25-37(3,4)47/h26-36,46-48H,11-25H2,1-10H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,40-,41-,42-,43+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065109
PNG
(CHEMBL3403819)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCOC)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H72N2O7/c1-10-48-36(38(5,6)46)28-21-26(2)33-34(50-28)35(45)40(8)30-12-11-29-37(3,4)31(13-14-41(29)25-42(30,41)16-15-39(33,40)7)51-32-24-44(18-20-49-32)27-22-43(23-27)17-19-47-9/h26-36,45-46H,10-25H2,1-9H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065193
PNG
(CHEMBL3403820)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CC(C)(C)O)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H74N2O7/c1-11-49-36(39(7,8)48)28-20-26(2)33-34(51-28)35(46)41(10)30-13-12-29-38(5,6)31(14-15-42(29)24-43(30,42)17-16-40(33,41)9)52-32-23-45(18-19-50-32)27-21-44(22-27)25-37(3,4)47/h26-36,46-48H,11-25H2,1-10H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,40-,41-,42-,43+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065194
PNG
(CHEMBL3403821)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCO)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C41H70N2O7/c1-9-47-35(37(5,6)46)27-20-25(2)32-33(49-27)34(45)39(8)29-11-10-28-36(3,4)30(12-13-40(28)24-41(29,40)15-14-38(32,39)7)50-31-23-43(17-19-48-31)26-21-42(22-26)16-18-44/h25-35,44-46H,9-24H2,1-8H3/t25-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065203
PNG
(CHEMBL2206994)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C40H68N2O6/c1-10-45-34(36(5,6)44)26-19-24(2)31-32(47-26)33(43)38(8)28-12-11-27-35(3,4)29(13-14-39(27)23-40(28,39)16-15-37(31,38)7)48-30-22-42(17-18-46-30)25-20-41(9)21-25/h24-34,43-44H,10-23H2,1-9H3/t24-,26-,27+,28+,29+,30+,31+,32+,33+,34+,37-,38-,39-,40+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065194
PNG
(CHEMBL3403821)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCO)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C41H70N2O7/c1-9-47-35(37(5,6)46)27-20-25(2)32-33(49-27)34(45)39(8)29-11-10-28-36(3,4)30(12-13-40(28)24-41(29,40)15-14-38(32,39)7)50-31-23-43(17-19-48-31)26-21-42(22-26)16-18-44/h25-35,44-46H,9-24H2,1-8H3/t25-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065109
PNG
(CHEMBL3403819)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCOC)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H72N2O7/c1-10-48-36(38(5,6)46)28-21-26(2)33-34(50-28)35(45)40(8)30-12-11-29-37(3,4)31(13-14-41(29)25-42(30,41)16-15-39(33,40)7)51-32-24-44(18-20-49-32)27-22-43(23-27)17-19-47-9/h26-36,45-46H,10-25H2,1-9H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065197
PNG
(CHEMBL3403824)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6COC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H72N2O7/c1-9-49-37(39(5,6)47)29-18-26(2)34-35(51-29)36(46)41(8)31-11-10-30-38(3,4)32(12-13-42(30)25-43(31,42)15-14-40(34,41)7)52-33-22-44(16-17-50-33)19-27-20-45(21-27)28-23-48-24-28/h26-37,46-47H,9-25H2,1-8H3/t26-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065196
PNG
(CHEMBL3403823)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6CCC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C44H74N2O6/c1-9-49-38(40(5,6)48)30-21-27(2)35-36(51-30)37(47)42(8)32-14-13-31-39(3,4)33(15-16-43(31)26-44(32,43)18-17-41(35,42)7)52-34-25-45(19-20-50-34)22-28-23-46(24-28)29-11-10-12-29/h27-38,47-48H,9-26H2,1-8H3/t27-,30-,31+,32+,33+,34+,35+,36+,37+,38+,41-,42-,43-,44+/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065198
PNG
(CHEMBL3403825)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCOC)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H74N2O7/c1-10-49-37(39(5,6)47)29-21-27(2)34-35(51-29)36(46)41(8)31-12-11-30-38(3,4)32(13-14-42(30)26-43(31,42)16-15-40(34,41)7)52-33-25-45(18-20-50-33)24-28-22-44(23-28)17-19-48-9/h27-37,46-47H,10-26H2,1-9H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065199
PNG
(CHEMBL3403826)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CC(C)(C)O)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C44H76N2O7/c1-11-50-37(40(7,8)49)29-20-27(2)34-35(52-29)36(47)42(10)31-13-12-30-39(5,6)32(14-15-43(30)25-44(31,43)17-16-41(34,42)9)53-33-24-45(18-19-51-33)21-28-22-46(23-28)26-38(3,4)48/h27-37,47-49H,11-26H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,41-,42-,43-,44+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065203
PNG
(CHEMBL2206994)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C40H68N2O6/c1-10-45-34(36(5,6)44)26-19-24(2)31-32(47-26)33(43)38(8)28-12-11-27-35(3,4)29(13-14-39(27)23-40(28,39)16-15-37(31,38)7)48-30-22-42(17-18-46-30)25-20-41(9)21-25/h24-34,43-44H,10-23H2,1-9H3/t24-,26-,27+,28+,29+,30+,31+,32+,33+,34+,37-,38-,39-,40+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065108
PNG
(CHEMBL3403818)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5COC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H70N2O7/c1-9-48-36(38(5,6)46)28-18-25(2)33-34(50-28)35(45)40(8)30-11-10-29-37(3,4)31(12-13-41(29)24-42(30,41)15-14-39(33,40)7)51-32-21-43(16-17-49-32)26-19-44(20-26)27-22-47-23-27/h25-36,45-46H,9-24H2,1-8H3/t25-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065196
PNG
(CHEMBL3403823)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6CCC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C44H74N2O6/c1-9-49-38(40(5,6)48)30-21-27(2)35-36(51-30)37(47)42(8)32-14-13-31-39(3,4)33(15-16-43(31)26-44(32,43)18-17-41(35,42)7)52-34-25-45(19-20-50-34)22-28-23-46(24-28)29-11-10-12-29/h27-38,47-48H,9-26H2,1-8H3/t27-,30-,31+,32+,33+,34+,35+,36+,37+,38+,41-,42-,43-,44+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065199
PNG
(CHEMBL3403826)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CC(C)(C)O)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C44H76N2O7/c1-11-50-37(40(7,8)49)29-20-27(2)34-35(52-29)36(47)42(10)31-13-12-30-39(5,6)32(14-15-43(30)25-44(31,43)17-16-41(34,42)9)53-33-24-45(18-19-51-33)21-28-22-46(23-28)26-38(3,4)48/h27-37,47-49H,11-26H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,41-,42-,43-,44+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065195
PNG
(CHEMBL3403822)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C(C)C)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H74N2O6/c1-11-48-37(39(7,8)47)29-20-27(4)34-35(50-29)36(46)41(10)31-13-12-30-38(5,6)32(14-15-42(30)25-43(31,42)17-16-40(34,41)9)51-33-24-44(18-19-49-33)21-28-22-45(23-28)26(2)3/h26-37,46-47H,11-25H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065195
PNG
(CHEMBL3403822)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C(C)C)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H74N2O6/c1-11-48-37(39(7,8)47)29-20-27(4)34-35(50-29)36(46)41(10)31-13-12-30-38(5,6)32(14-15-42(30)25-43(31,42)17-16-40(34,41)9)51-33-24-44(18-19-49-33)21-28-22-45(23-28)26(2)3/h26-37,46-47H,11-25H2,1-10H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065200
PNG
(CHEMBL3403827)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCO)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H72N2O7/c1-9-48-36(38(5,6)47)28-20-26(2)33-34(50-28)35(46)40(8)30-11-10-29-37(3,4)31(12-13-41(29)25-42(30,41)15-14-39(33,40)7)51-32-24-44(17-19-49-32)23-27-21-43(22-27)16-18-45/h26-36,45-47H,9-25H2,1-8H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065200
PNG
(CHEMBL3403827)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCO)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H72N2O7/c1-9-48-36(38(5,6)47)28-20-26(2)33-34(50-28)35(46)40(8)30-11-10-29-37(3,4)31(12-13-41(29)25-42(30,41)15-14-39(33,40)7)51-32-24-44(17-19-49-32)23-27-21-43(22-27)16-18-45/h26-36,45-47H,9-25H2,1-8H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065198
PNG
(CHEMBL3403825)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCOC)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H74N2O7/c1-10-49-37(39(5,6)47)29-21-27(2)34-35(51-29)36(46)41(8)31-12-11-30-38(3,4)32(13-14-42(30)26-43(31,42)16-15-40(34,41)7)52-33-25-45(18-20-50-33)24-28-22-44(23-28)17-19-48-9/h27-37,46-47H,10-26H2,1-9H3/t27-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065202
PNG
(CHEMBL3403815)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C41H70N2O6/c1-10-46-35(37(5,6)45)27-19-25(2)32-33(48-27)34(44)39(8)29-12-11-28-36(3,4)30(13-14-40(28)24-41(29,40)16-15-38(32,39)7)49-31-23-43(17-18-47-31)22-26-20-42(9)21-26/h25-35,44-45H,10-24H2,1-9H3/t25-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065201
PNG
(CHEMBL3403816)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C(C)C)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H72N2O6/c1-11-47-36(38(7,8)46)28-20-26(4)33-34(49-28)35(45)40(10)30-13-12-29-37(5,6)31(14-15-41(29)24-42(30,41)17-16-39(33,40)9)50-32-23-43(18-19-48-32)27-21-44(22-27)25(2)3/h25-36,45-46H,11-24H2,1-10H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065202
PNG
(CHEMBL3403815)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C41H70N2O6/c1-10-46-35(37(5,6)45)27-19-25(2)32-33(48-27)34(44)39(8)29-12-11-28-36(3,4)30(13-14-40(28)24-41(29,40)16-15-38(32,39)7)49-31-23-43(17-18-47-31)22-26-20-42(9)21-26/h25-35,44-45H,10-24H2,1-9H3/t25-,27-,28+,29+,30+,31+,32+,33+,34+,35+,38-,39-,40-,41+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065201
PNG
(CHEMBL3403816)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C(C)C)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C42H72N2O6/c1-11-47-36(38(7,8)46)28-20-26(4)33-34(49-28)35(45)40(10)30-13-12-29-37(5,6)31(14-15-41(29)24-42(30,41)17-16-39(33,40)9)50-32-23-43(18-19-48-32)27-21-44(22-27)25(2)3/h25-36,45-46H,11-24H2,1-10H3/t26-,28-,29+,30+,31+,32+,33+,34+,35+,36+,39-,40-,41-,42+/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065236
PNG
(CHEMBL3403817)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5CCC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H72N2O6/c1-9-48-37(39(5,6)47)29-21-26(2)34-35(50-29)36(46)41(8)31-14-13-30-38(3,4)32(15-16-42(30)25-43(31,42)18-17-40(34,41)7)51-33-24-44(19-20-49-33)28-22-45(23-28)27-11-10-12-27/h26-37,46-47H,9-25H2,1-8H3/t26-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substr...

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50065236
PNG
(CHEMBL3403817)
Show SMILES [H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5CCC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
Show InChI InChI=1S/C43H72N2O6/c1-9-48-37(39(5,6)47)29-21-26(2)34-35(50-29)36(46)41(8)31-14-13-30-38(3,4)32(15-16-42(30)25-43(31,42)18-17-40(34,41)7)51-33-24-44(19-20-49-33)28-22-45(23-28)27-11-10-12-27/h26-37,46-47H,9-25H2,1-8H3/t26-,29-,30+,31+,32+,33+,34+,35+,36+,37+,40-,41-,42-,43+/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Satori Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis

Bioorg Med Chem Lett 25: 1621-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.051
BindingDB Entry DOI: 10.7270/Q2JW8GJJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%