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Patent code US10836743

Compile Data Set for Download or QSAR
Found 110 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472854
PNG
(Benzyl 4-fluoro-4-((trans-2-phenylcyclo- propyl)am...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(17-25-21-15-20(21)19-9-5-2-6-10-19)11-13-26(14-12-23)22(27)28-16-18-7-3-1-4-8-18/h1-10,20-21,25H,11-17H2
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n/an/a 1.04n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472874
PNG
(3-cyclohexyl-1-(4-fluoro-4-(((trans- 2-phenylcyclo...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCC1CCCCC1
Show InChI InChI=1S/C24H35FN2O/c25-24(18-26-22-17-21(22)20-9-5-2-6-10-20)13-15-27(16-14-24)23(28)12-11-19-7-3-1-4-8-19/h2,5-6,9-10,19,21-22,26H,1,3-4,7-8,11-18H2
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n/an/a 4.08n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472858
PNG
(N-((4-fluoropiperidin-4-yl)methyl)- trans-2-phenyl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCNCC1
Show InChI InChI=1S/C15H21FN2/c16-15(6-8-17-9-7-15)11-18-14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14,17-18H,6-11H2
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n/an/a 6.97n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472864
PNG
(4-((4-fluoro-4-(((trans-2-phenylcyclo- propyl)amin...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)
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n/an/a 7.83n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472876
PNG
(4-fluoro-N-methyl-4-(((trans-2- phenylcyclopropyl)...)
Show SMILES CNC1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C17H25FN2/c1-19-14-7-9-17(18,10-8-14)12-20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16,19-20H,7-12H2,1H3
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472893
PNG
(Piperidin-4-ylmethyl 4-(((2-(5-bromothien-2-yl)cyc...)
Show SMILES FC1(CNC2CC2c2ccc(Br)s2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C20H29BrFN3O2S/c21-18-2-1-17(28-18)15-11-16(15)24-13-20(22)5-9-25(10-6-20)19(26)27-12-14-3-7-23-8-4-14/h1-2,14-16,23-24H,3-13H2
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n/an/a 16.2n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472903
PNG
(Piperidin-4-ylmethyl 4-(((2-(6-(4-ethylphenoxy)pyr...)
Show SMILES CCc1ccc(Oc2ccc(cn2)C2CC2NCC2(F)CCN(CC2)C(=O)OCC2CCNCC2)cc1
Show InChI InChI=1S/C29H39FN4O3/c1-2-21-3-6-24(7-4-21)37-27-8-5-23(18-32-27)25-17-26(25)33-20-29(30)11-15-34(16-12-29)28(35)36-19-22-9-13-31-14-10-22/h3-8,18,22,25-26,31,33H,2,9-17,19-20H2,1H3
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472904
PNG
(N-((4-fluoro-1-(piperidin-4-yl- methyl)sulfonyl)pi...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)S(=O)(=O)CC1CCNCC1
Show InChI InChI=1S/C21H32FN3O2S/c22-21(16-24-20-14-19(20)18-4-2-1-3-5-18)8-12-25(13-9-21)28(26,27)15-17-6-10-23-11-7-17/h1-5,17,19-20,23-24H,6-16H2
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n/an/a 21.5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472884
PNG
(N-((4-fluoro-1-methylpiperidin-4-yl) methyl)-trans...)
Show SMILES CN1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C16H23FN2/c1-19-9-7-16(17,8-10-19)12-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3
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n/an/a 21.9n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472899
PNG
(Piperidin-4-ylmethyl 4-(((2-(5-((4-cyanophenyl)eth...)
Show SMILES FC1(CNC2CC2c2ccc(s2)C#Cc2ccc(cc2)C#N)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C29H33FN4O2S/c30-29(11-15-34(16-12-29)28(35)36-19-23-9-13-32-14-10-23)20-33-26-17-25(26)27-8-7-24(37-27)6-5-21-1-3-22(18-31)4-2-21/h1-4,7-8,23,25-26,32-33H,9-17,19-20H2
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472862
PNG
((1s,4s)-4-fluoro-4-(((trans-2-phenyl- cyclopropyl)...)
Show SMILES N[C@H]1CC[C@](F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C16H23FN2/c17-16(8-6-13(18)7-9-16)11-19-15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11,18H2/t13-,14?,15?,16+
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n/an/a 23.3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472878
PNG
(N-((4-fluoro-1-(3-phenylpropyl) piperidin-4-yl)met...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H31FN2/c25-24(19-26-23-18-22(23)21-11-5-2-6-12-21)13-16-27(17-14-24)15-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,22-23,26H,7,10,13-19H2
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n/an/a 24.1n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472900
PNG
((1-benzylpiperidin-4-yl)methyl 4-fluoro-4-(((trans...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H38FN3O2/c30-29(22-31-27-19-26(27)25-9-5-2-6-10-25)13-17-33(18-14-29)28(34)35-21-24-11-15-32(16-12-24)20-23-7-3-1-4-8-23/h1-10,24,26-27,31H,11-22H2
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n/an/a 24.7n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472861
PNG
(Piperidin-4-yl 4-fluoro-4-(((trans-2-phenylcyclo- ...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OC1CCNCC1
Show InChI InChI=1S/C21H30FN3O2/c22-21(15-24-19-14-18(19)16-4-2-1-3-5-16)8-12-25(13-9-21)20(26)27-17-6-10-23-11-7-17/h1-5,17-19,23-24H,6-15H2
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472882
PNG
(N-((1-(3-cyclohexylpropyl)-4-fluoro- piperidin-4-y...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CCCC2CCCCC2)CC1
Show InChI InChI=1S/C24H37FN2/c25-24(19-26-23-18-22(23)21-11-5-2-6-12-21)13-16-27(17-14-24)15-7-10-20-8-3-1-4-9-20/h2,5-6,11-12,20,22-23,26H,1,3-4,7-10,13-19H2
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n/an/a 42.4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472896
PNG
(Piperidin-4-ylmethyl-4-fluoro-4- (((trans-2-phenyl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2
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n/an/a 44.9n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472888
PNG
(N-((4-fluoro-1-(naphthyl-2-methyl) piperidin-4-yl)...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H29FN2/c27-26(19-28-25-17-24(25)22-7-2-1-3-8-22)12-14-29(15-13-26)18-20-10-11-21-6-4-5-9-23(21)16-20/h1-11,16,24-25,28H,12-15,17-19H2
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472906
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-((((1R,2S)-2-pheny...)
Show SMILES FC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m0/s1
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n/an/a 49.7n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472870
PNG
(1-(4-fluoro-4-(((trans-2-phenylcyclo- propyl)amino...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C24H29FN2O/c25-24(18-26-22-17-21(22)20-9-5-2-6-10-20)13-15-27(16-14-24)23(28)12-11-19-7-3-1-4-8-19/h1-10,21-22,26H,11-18H2
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n/an/a 51.8n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472866
PNG
(N-((1-benzyl-4-fluoropiperidin-4- yl)methyl)-trans...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27FN2/c23-22(17-24-21-15-20(21)19-9-5-2-6-10-19)11-13-25(14-12-22)16-18-7-3-1-4-8-18/h1-10,20-21,24H,11-17H2
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n/an/a 52.7n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472891
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-(((2-(5-(4-(triflu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(s1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C27H33F4N3O2S/c28-26(9-13-34(14-10-26)25(35)36-16-18-7-11-32-12-8-18)17-33-22-15-21(22)24-6-5-23(37-24)19-1-3-20(4-2-19)27(29,30)31/h1-6,18,21-22,32-33H,7-17H2
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n/an/a 52.9n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472872
PNG
(Phenyl 4-fluoro-4-((trans-2-phenylcyclo- propyl)am...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25FN2O2/c23-22(16-24-20-15-19(20)17-7-3-1-4-8-17)11-13-25(14-12-22)21(26)27-18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2
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n/an/a 55.9n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472886
PNG
(N-((4-fluoro-1-(4-(methylsulfonyl) benzyl)piperidi...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29FN2O2S/c1-29(27,28)20-9-7-18(8-10-20)16-26-13-11-23(24,12-14-26)17-25-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,25H,11-17H2,1H3
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n/an/a 56.4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472869
PNG
((1-(cyclopropylmethyl)piperidin- 4-yl)methyl 4-flu...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C26H38FN3O2/c27-26(19-28-24-16-23(24)22-4-2-1-3-5-22)10-14-30(15-11-26)25(31)32-18-21-8-12-29(13-9-21)17-20-6-7-20/h1-5,20-21,23-24,28H,6-19H2
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n/an/a 64.3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472907
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-(((2-(6-(4-fluorop...)
Show SMILES Fc1ccc(cc1)-c1ccc(cn1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C27H34F2N4O2/c28-22-4-1-20(2-5-22)24-6-3-21(16-31-24)23-15-25(23)32-18-27(29)9-13-33(14-10-27)26(34)35-17-19-7-11-30-12-8-19/h1-6,16,19,23,25,30,32H,7-15,17-18H2
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n/an/a 68.8n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472875
PNG
(4-((4-(((2-(5-Bromothiophen-2- yl))cyclopropyl)ami...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
Show InChI InChI=1S/C21H24BrFN2O2S/c22-19-6-5-18(28-19)16-11-17(16)24-13-21(23)7-9-25(10-8-21)12-14-1-3-15(4-2-14)20(26)27/h1-6,16-17,24H,7-13H2,(H,26,27)
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n/an/a 69.3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472859
PNG
(Azetidin-3-ylmethyl 4-fluoro-4-(((trans-2-phenylcy...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CNC1
Show InChI InChI=1S/C20H28FN3O2/c21-20(14-23-18-10-17(18)16-4-2-1-3-5-16)6-8-24(9-7-20)19(25)26-13-15-11-22-12-15/h1-5,15,17-18,22-23H,6-14H2
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n/an/a 70.3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472867
PNG
(N-((4-fluoro-1-(thien-3-ylmethyl) piperidin-4-yl)m...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccsc2)CC1
Show InChI InChI=1S/C20H25FN2S/c21-20(7-9-23(10-8-20)13-16-6-11-24-14-16)15-22-19-12-18(19)17-4-2-1-3-5-17/h1-6,11,14,18-19,22H,7-10,12-13,15H2
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n/an/a 72n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472905
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-(((2-(6-(3-(triflu...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(cn1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C28H34F4N4O2/c29-27(8-12-36(13-9-27)26(37)38-17-19-6-10-33-11-7-19)18-35-25-15-23(25)21-4-5-24(34-16-21)20-2-1-3-22(14-20)28(30,31)32/h1-5,14,16,19,23,25,33,35H,6-13,15,17-18H2
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n/an/a 78.9n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472890
PNG
(N-((1-fluorocyclohexyl)methyl)- trans-2-phenylcycl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCCCC1
Show InChI InChI=1S/C16H22FN/c17-16(9-5-2-6-10-16)12-18-15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2
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n/an/a 80.3n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472877
PNG
(Methyl 4-((4-(((2-(5-bromothiophen-2- yl))cyclopro...)
Show SMILES COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
Show InChI InChI=1S/C22H26BrFN2O2S/c1-28-21(27)16-4-2-15(3-5-16)13-26-10-8-22(24,9-11-26)14-25-18-12-17(18)19-6-7-20(23)29-19/h2-7,17-18,25H,8-14H2,1H3
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n/an/a 80.5n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472863
PNG
(4-((4-Fluoro-4-(((trans-2-phenyl- cyclopropyl)amin...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C23H26FN3/c24-23(17-26-22-14-21(22)20-4-2-1-3-5-20)10-12-27(13-11-23)16-19-8-6-18(15-25)7-9-19/h1-9,21-22,26H,10-14,16-17H2
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n/an/a 94n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472897
PNG
(Piperidin-4-ylmethyl 4-(((2-(5-cyclopropylthiophen...)
Show SMILES FC1(CNC2CC2c2ccc(s2)C2CC2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C23H34FN3O2S/c24-23(15-26-19-13-18(19)21-4-3-20(30-21)17-1-2-17)7-11-27(12-8-23)22(28)29-14-16-5-9-25-10-6-16/h3-4,16-19,25-26H,1-2,5-15H2
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n/an/a 109n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472898
PNG
((1-methylpiperidin-4-yl)methyl 4-fluoro-4-(((trans...)
Show SMILES CN1CCC(COC(=O)N2CCC(F)(CNC3CC3c3ccccc3)CC2)CC1
Show InChI InChI=1S/C23H34FN3O2/c1-26-11-7-18(8-12-26)16-29-22(28)27-13-9-23(24,10-14-27)17-25-21-15-20(21)19-5-3-2-4-6-19/h2-6,18,20-21,25H,7-17H2,1H3
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n/an/a 115n/an/an/an/an/an/a


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Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472908
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-((((1S,2R)-2-pheny...)
Show SMILES FC1(CN[C@H]2C[C@@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m1/s1
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n/an/a 118n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472894
PNG
(Pyridin-4-ylmethyl 4-fluoro-4-(((trans-2-phenylcyc...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCc1ccncc1
Show InChI InChI=1S/C22H26FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-7,10-11,19-20,25H,8-9,12-16H2
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n/an/a 119n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472895
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-(((2-(6-(4-methoxy...)
Show SMILES COc1ccc(cc1)-c1ccc(cn1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C28H37FN4O3/c1-35-23-5-2-21(3-6-23)25-7-4-22(17-31-25)24-16-26(24)32-19-28(29)10-14-33(15-11-28)27(34)36-18-20-8-12-30-13-9-20/h2-7,17,20,24,26,30,32H,8-16,18-19H2,1H3
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n/an/a 122n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472901
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-(((2-(6-phenylpyri...)
Show SMILES FC1(CNC2CC2c2ccc(nc2)-c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C27H35FN4O2/c28-27(10-14-32(15-11-27)26(33)34-18-20-8-12-29-13-9-20)19-31-25-16-23(25)22-6-7-24(30-17-22)21-4-2-1-3-5-21/h1-7,17,20,23,25,29,31H,8-16,18-19H2
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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472879
PNG
(Ethyl 4-((4-(((2-(5-bromothiophen-2- yl))cycloprop...)
Show SMILES CCOC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
Show InChI InChI=1S/C23H28BrFN2O2S/c1-2-29-22(28)17-5-3-16(4-6-17)14-27-11-9-23(25,10-12-27)15-26-19-13-18(19)20-7-8-21(24)30-20/h3-8,18-19,26H,2,9-15H2,1H3
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n/an/a 140n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472860
PNG
(Methyl 4-((4-fluoro-4-(((trans-2-phenylcyclo- prop...)
Show SMILES COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H29FN2O2/c1-29-23(28)20-9-7-18(8-10-20)16-27-13-11-24(25,12-14-27)17-26-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,26H,11-17H2,1H3
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n/an/a 164n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472892
PNG
(Benzyl (4-fluoro-4-((trans-2-phenylcyclo- propyl)a...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCC(CC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29FN2O2/c25-24(17-26-22-15-21(22)19-9-5-2-6-10-19)13-11-20(12-14-24)27-23(28)29-16-18-7-3-1-4-8-18/h1-10,20-22,26H,11-17H2,(H,27,28)
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n/an/a 174n/an/an/an/an/an/a


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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472868
PNG
(Methyl 3-(4-fluoro-4-(((trans-2-phenylcyclo- propy...)
Show SMILES COC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C19H27FN2O2/c1-24-18(23)7-10-22-11-8-19(20,9-12-22)14-21-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,21H,7-14H2,1H3
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Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472881
PNG
(US10836743, Compound A105 | tert-Butyl 4-((4-fluor...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C31H36F2N2O2S/c1-30(2,3)37-29(36)23-6-4-21(5-7-23)19-35-16-14-31(33,15-17-35)20-34-26-18-25(26)28-13-12-27(38-28)22-8-10-24(32)11-9-22/h4-13,25-26,34H,14-20H2,1-3H3
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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472880
PNG
(N-((1-([1,1'-biphenyl]-4-methyl)-4- fluoropiperidi...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H31FN2/c29-28(21-30-27-19-26(27)25-9-5-2-6-10-25)15-17-31(18-16-28)20-22-11-13-24(14-12-22)23-7-3-1-4-8-23/h1-14,26-27,30H,15-21H2
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Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472887
PNG
(US10836743, Compound A108 | tert-Butyl 4-((4-fluor...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C31H37FN2O2S/c1-30(2,3)36-29(35)24-11-9-22(10-12-24)20-34-17-15-31(32,16-18-34)21-33-26-19-25(26)28-14-13-27(37-28)23-7-5-4-6-8-23/h4-14,25-26,33H,15-21H2,1-3H3
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Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472865
PNG
(N-((4-fluoro-1-(piperidin-4-yl- methyl)piperidin-4...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C21H26FN3/c22-21(16-24-20-14-19(20)18-4-2-1-3-5-18)8-12-25(13-9-21)15-17-6-10-23-11-7-17/h1-7,10-11,19-20,24H,8-9,12-16H2
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TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472883
PNG
(US10836743, Compound A106 | tert-Butyl 4-((4-(((2-...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C31H36ClFN2O2S/c1-30(2,3)37-29(36)23-6-4-21(5-7-23)19-35-16-14-31(33,15-17-35)20-34-26-18-25(26)28-13-12-27(38-28)22-8-10-24(32)11-9-22/h4-13,25-26,34H,14-20H2,1-3H3
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n/an/a 357n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472902
PNG
(4-((4-(((4-Fluoro-4-(((trans-2- phenylcyclopropyl)...)
Show SMILES OC(=O)c1ccc(CN2CCC(COC(=O)N3CCC(F)(CNC4CC4c4ccccc4)CC3)CC2)cc1
Show InChI InChI=1S/C30H38FN3O4/c31-30(21-32-27-18-26(27)24-4-2-1-3-5-24)12-16-34(17-13-30)29(37)38-20-23-10-14-33(15-11-23)19-22-6-8-25(9-7-22)28(35)36/h1-9,23,26-27,32H,10-21H2,(H,35,36)
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n/an/a 384n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472885
PNG
(US10836743, Compound A107 | tert-Butyl 4-((4-fluor...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccc(cc3)C(F)(F)F)CC2)cc1
Show InChI InChI=1S/C32H36F4N2O2S/c1-30(2,3)40-29(39)23-6-4-21(5-7-23)19-38-16-14-31(33,15-17-38)20-37-26-18-25(26)28-13-12-27(41-28)22-8-10-24(11-9-22)32(34,35)36/h4-13,25-26,37H,14-20H2,1-3H3
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n/an/a 425n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472871
PNG
(N-(2-Aminophenyl)-4-((4-fluoro-4- (((trans-2-pheny...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33FN4O/c30-29(20-32-27-18-24(27)22-6-2-1-3-7-22)14-16-34(17-15-29)19-21-10-12-23(13-11-21)28(35)33-26-9-5-4-8-25(26)31/h1-13,24,27,32H,14-20,31H2,(H,33,35)
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n/an/a 514n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472873
PNG
(US10836743, Compound A101 | tert-Butyl 4-((4-((2-(...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
Show InChI InChI=1S/C25H32BrFN2O2S/c1-24(2,3)31-23(30)18-6-4-17(5-7-18)15-29-12-10-25(27,11-13-29)16-28-20-14-19(20)21-8-9-22(26)32-21/h4-9,19-20,28H,10-16H2,1-3H3
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n/an/a 532n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472857
PNG
(N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)met...)
Show SMILES CS(=O)(=O)N1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C16H23FN2O2S/c1-22(20,21)19-9-7-16(17,8-10-19)12-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3
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n/an/a 561n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472889
PNG
(US10836743, Compound A109 | tert-Butyl 4-((4-fluor...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3cccc4ccccc34)CC2)cc1
Show InChI InChI=1S/C35H39FN2O2S/c1-34(2,3)40-33(39)26-13-11-24(12-14-26)22-38-19-17-35(36,18-20-38)23-37-30-21-29(30)32-16-15-31(41-32)28-10-6-8-25-7-4-5-9-27(25)28/h4-16,29-30,37H,17-23H2,1-3H3
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n/an/a 747n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158869
PNG
(CHEMBL3786182 | US10836743, Compound GSK-2879552)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472909
PNG
(4-((4-fluoro-4-((((1R,2S)-2- phenylcyclopropyl)ami...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM472911
PNG
(4-((4-fluoro-4-((((1S,2R)-2-phenyl- cyclopropyl)am...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)/t20-,21+/m1/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human ...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472880
PNG
(N-((1-([1,1'-biphenyl]-4-methyl)-4- fluoropiperidi...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H31FN2/c29-28(21-30-27-19-26(27)25-9-5-2-6-10-25)15-17-31(18-16-28)20-22-11-13-24(14-12-22)23-7-3-1-4-8-23/h1-14,26-27,30H,15-21H2
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n/an/a 3.81E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472888
PNG
(N-((4-fluoro-1-(naphthyl-2-methyl) piperidin-4-yl)...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H29FN2/c27-26(19-28-25-17-24(25)22-7-2-1-3-8-22)12-14-29(15-13-26)18-20-10-11-21-6-4-5-9-23(21)16-20/h1-11,16,24-25,28H,12-15,17-19H2
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n/an/a 3.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472882
PNG
(N-((1-(3-cyclohexylpropyl)-4-fluoro- piperidin-4-y...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CCCC2CCCCC2)CC1
Show InChI InChI=1S/C24H37FN2/c25-24(19-26-23-18-22(23)21-11-5-2-6-12-21)13-16-27(17-14-24)15-7-10-20-8-3-1-4-9-20/h2,5-6,11-12,20,22-23,26H,1,3-4,7-10,13-19H2
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n/an/a 4.35E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472878
PNG
(N-((4-fluoro-1-(3-phenylpropyl) piperidin-4-yl)met...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H31FN2/c25-24(19-26-23-18-22(23)21-11-5-2-6-12-21)13-16-27(17-14-24)15-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,22-23,26H,7,10,13-19H2
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n/an/a 6.34E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472886
PNG
(N-((4-fluoro-1-(4-(methylsulfonyl) benzyl)piperidi...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29FN2O2S/c1-29(27,28)20-9-7-18(8-10-20)16-26-13-11-23(24,12-14-26)17-25-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,25H,11-17H2,1H3
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n/an/a 1.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472860
PNG
(Methyl 4-((4-fluoro-4-(((trans-2-phenylcyclo- prop...)
Show SMILES COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H29FN2O2/c1-29-23(28)20-9-7-18(8-10-20)16-27-13-11-24(25,12-14-27)17-26-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,26H,11-17H2,1H3
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n/an/a 1.28E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472874
PNG
(3-cyclohexyl-1-(4-fluoro-4-(((trans- 2-phenylcyclo...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCC1CCCCC1
Show InChI InChI=1S/C24H35FN2O/c25-24(18-26-22-17-21(22)20-9-5-2-6-10-20)13-15-27(16-14-24)23(28)12-11-19-7-3-1-4-8-19/h2,5-6,9-10,19,21-22,26H,1,3-4,7-8,11-18H2
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472912
PNG
(N-((4-fluoro-1-phenylpiperidin-4- yl)methyl)-trans...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25FN2/c22-21(11-13-24(14-12-21)18-9-5-2-6-10-18)16-23-20-15-19(20)17-7-3-1-4-8-17/h1-10,19-20,23H,11-16H2
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n/an/a 2.21E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472906
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-((((1R,2S)-2-pheny...)
Show SMILES FC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m0/s1
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n/an/a 2.97E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472908
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-((((1S,2R)-2-pheny...)
Show SMILES FC1(CN[C@H]2C[C@@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472896
PNG
(Piperidin-4-ylmethyl-4-fluoro-4- (((trans-2-phenyl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2
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n/an/a 4.21E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472872
PNG
(Phenyl 4-fluoro-4-((trans-2-phenylcyclo- propyl)am...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25FN2O2/c23-22(16-24-20-15-19(20)17-7-3-1-4-8-17)11-13-25(14-12-22)21(26)27-18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2
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n/an/a 4.54E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472892
PNG
(Benzyl (4-fluoro-4-((trans-2-phenylcyclo- propyl)a...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCC(CC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29FN2O2/c25-24(17-26-22-15-21(22)19-9-5-2-6-10-19)13-11-20(12-14-24)27-23(28)29-16-18-7-3-1-4-8-18/h1-10,20-22,26H,11-17H2,(H,27,28)
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n/an/a 6.84E+4n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472854
PNG
(Benzyl 4-fluoro-4-((trans-2-phenylcyclo- propyl)am...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(17-25-21-15-20(21)19-9-5-2-6-10-19)11-13-26(14-12-23)22(27)28-16-18-7-3-1-4-8-18/h1-10,20-21,25H,11-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472870
PNG
(1-(4-fluoro-4-(((trans-2-phenylcyclo- propyl)amino...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C24H29FN2O/c25-24(18-26-22-17-21(22)20-9-5-2-6-10-20)13-15-27(16-14-24)23(28)12-11-19-7-3-1-4-8-19/h1-10,21-22,26H,11-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472864
PNG
(4-((4-fluoro-4-(((trans-2-phenylcyclo- propyl)amin...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472866
PNG
(N-((1-benzyl-4-fluoropiperidin-4- yl)methyl)-trans...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27FN2/c23-22(17-24-21-15-20(21)19-9-5-2-6-10-19)11-13-25(14-12-22)16-18-7-3-1-4-8-18/h1-10,20-21,24H,11-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472876
PNG
(4-fluoro-N-methyl-4-(((trans-2- phenylcyclopropyl)...)
Show SMILES CNC1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C17H25FN2/c1-19-14-7-9-17(18,10-8-14)12-20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16,19-20H,7-12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472880
PNG
(N-((1-([1,1'-biphenyl]-4-methyl)-4- fluoropiperidi...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H31FN2/c29-28(21-30-27-19-26(27)25-9-5-2-6-10-25)15-17-31(18-16-28)20-22-11-13-24(14-12-22)23-7-3-1-4-8-23/h1-14,26-27,30H,15-21H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472884
PNG
(N-((4-fluoro-1-methylpiperidin-4-yl) methyl)-trans...)
Show SMILES CN1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C16H23FN2/c1-19-9-7-16(17,8-10-19)12-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472860
PNG
(Methyl 4-((4-fluoro-4-(((trans-2-phenylcyclo- prop...)
Show SMILES COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H29FN2O2/c1-29-23(28)20-9-7-18(8-10-20)16-27-13-11-24(25,12-14-27)17-26-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,26H,11-17H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472896
PNG
(Piperidin-4-ylmethyl-4-fluoro-4- (((trans-2-phenyl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472908
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-((((1S,2R)-2-pheny...)
Show SMILES FC1(CN[C@H]2C[C@@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472872
PNG
(Phenyl 4-fluoro-4-((trans-2-phenylcyclo- propyl)am...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25FN2O2/c23-22(16-24-20-15-19(20)17-7-3-1-4-8-17)11-13-25(14-12-22)21(26)27-18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50158869
PNG
(CHEMBL3786182 | US10836743, Compound GSK-2879552)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472862
PNG
((1s,4s)-4-fluoro-4-(((trans-2-phenyl- cyclopropyl)...)
Show SMILES N[C@H]1CC[C@](F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C16H23FN2/c17-16(8-6-13(18)7-9-16)11-19-15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11,18H2/t13-,14?,15?,16+
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472882
PNG
(N-((1-(3-cyclohexylpropyl)-4-fluoro- piperidin-4-y...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CCCC2CCCCC2)CC1
Show InChI InChI=1S/C24H37FN2/c25-24(19-26-23-18-22(23)21-11-5-2-6-12-21)13-16-27(17-14-24)15-7-10-20-8-3-1-4-9-20/h2,5-6,11-12,20,22-23,26H,1,3-4,7-10,13-19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472890
PNG
(N-((1-fluorocyclohexyl)methyl)- trans-2-phenylcycl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCCCC1
Show InChI InChI=1S/C16H22FN/c17-16(9-5-2-6-10-16)12-18-15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472906
PNG
(Piperidin-4-ylmethyl 4-fluoro-4-((((1R,2S)-2-pheny...)
Show SMILES FC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
Show InChI InChI=1S/C22H32FN3O2/c23-22(16-25-20-14-19(20)18-4-2-1-3-5-18)8-12-26(13-9-22)21(27)28-15-17-6-10-24-11-7-17/h1-5,17,19-20,24-25H,6-16H2/t19-,20+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472868
PNG
(Methyl 3-(4-fluoro-4-(((trans-2-phenylcyclo- propy...)
Show SMILES COC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C19H27FN2O2/c1-24-18(23)7-10-22-11-8-19(20,9-12-22)14-21-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,21H,7-14H2,1H3
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TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472876
PNG
(4-fluoro-N-methyl-4-(((trans-2- phenylcyclopropyl)...)
Show SMILES CNC1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C17H25FN2/c1-19-14-7-9-17(18,10-8-14)12-20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16,19-20H,7-12H2,1H3
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TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472878
PNG
(N-((4-fluoro-1-(3-phenylpropyl) piperidin-4-yl)met...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H31FN2/c25-24(19-26-23-18-22(23)21-11-5-2-6-12-21)13-16-27(17-14-24)15-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,22-23,26H,7,10,13-19H2
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TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472884
PNG
(N-((4-fluoro-1-methylpiperidin-4-yl) methyl)-trans...)
Show SMILES CN1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C16H23FN2/c1-19-9-7-16(17,8-10-19)12-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,18H,7-12H2,1H3
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TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472892
PNG
(Benzyl (4-fluoro-4-((trans-2-phenylcyclo- propyl)a...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCC(CC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29FN2O2/c25-24(17-26-22-15-21(22)19-9-5-2-6-10-19)13-11-20(12-14-24)27-23(28)29-16-18-7-3-1-4-8-18/h1-10,20-22,26H,11-17H2,(H,27,28)
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TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472911
PNG
(4-((4-fluoro-4-((((1S,2R)-2-phenyl- cyclopropyl)am...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)/t20-,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


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More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472868
PNG
(Methyl 3-(4-fluoro-4-(((trans-2-phenylcyclo- propy...)
Show SMILES COC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C19H27FN2O2/c1-24-18(23)7-10-22-11-8-19(20,9-12-22)14-21-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,21H,7-14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472886
PNG
(N-((4-fluoro-1-(4-(methylsulfonyl) benzyl)piperidi...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H29FN2O2S/c1-29(27,28)20-9-7-18(8-10-20)16-26-13-11-23(24,12-14-26)17-25-22-15-21(22)19-5-3-2-4-6-19/h2-10,21-22,25H,11-17H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472888
PNG
(N-((4-fluoro-1-(naphthyl-2-methyl) piperidin-4-yl)...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H29FN2/c27-26(19-28-25-17-24(25)22-7-2-1-3-8-22)12-14-29(15-13-26)18-20-10-11-21-6-4-5-9-23(21)16-20/h1-11,16,24-25,28H,12-15,17-19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472909
PNG
(4-((4-fluoro-4-((((1R,2S)-2- phenylcyclopropyl)ami...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472911
PNG
(4-((4-fluoro-4-((((1S,2R)-2-phenyl- cyclopropyl)am...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)/t20-,21+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472858
PNG
(N-((4-fluoropiperidin-4-yl)methyl)- trans-2-phenyl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCNCC1
Show InChI InChI=1S/C15H21FN2/c16-15(6-8-17-9-7-15)11-18-14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14,17-18H,6-11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472862
PNG
((1s,4s)-4-fluoro-4-(((trans-2-phenyl- cyclopropyl)...)
Show SMILES N[C@H]1CC[C@](F)(CNC2CC2c2ccccc2)CC1
Show InChI InChI=1S/C16H23FN2/c17-16(8-6-13(18)7-9-16)11-19-15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11,18H2/t13-,14?,15?,16+
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472866
PNG
(N-((1-benzyl-4-fluoropiperidin-4- yl)methyl)-trans...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27FN2/c23-22(17-24-21-15-20(21)19-9-5-2-6-10-19)11-13-25(14-12-22)16-18-7-3-1-4-8-18/h1-10,20-21,24H,11-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472912
PNG
(N-((4-fluoro-1-phenylpiperidin-4- yl)methyl)-trans...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H25FN2/c22-21(11-13-24(14-12-21)18-9-5-2-6-10-18)16-23-20-15-19(20)17-7-3-1-4-8-17/h1-10,19-20,23H,11-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472909
PNG
(4-((4-fluoro-4-((((1R,2S)-2- phenylcyclopropyl)ami...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)/t20-,21+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472858
PNG
(N-((4-fluoropiperidin-4-yl)methyl)- trans-2-phenyl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCNCC1
Show InChI InChI=1S/C15H21FN2/c16-15(6-8-17-9-7-15)11-18-14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14,17-18H,6-11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472870
PNG
(1-(4-fluoro-4-(((trans-2-phenylcyclo- propyl)amino...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C24H29FN2O/c25-24(18-26-22-17-21(22)20-9-5-2-6-10-20)13-15-27(16-14-24)23(28)12-11-19-7-3-1-4-8-19/h1-10,21-22,26H,11-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472874
PNG
(3-cyclohexyl-1-(4-fluoro-4-(((trans- 2-phenylcyclo...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCC1CCCCC1
Show InChI InChI=1S/C24H35FN2O/c25-24(18-26-22-17-21(22)20-9-5-2-6-10-20)13-15-27(16-14-24)23(28)12-11-19-7-3-1-4-8-19/h2,5-6,9-10,19,21-22,26H,1,3-4,7-8,11-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50158869
PNG
(CHEMBL3786182 | US10836743, Compound GSK-2879552)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM472854
PNG
(Benzyl 4-fluoro-4-((trans-2-phenylcyclo- propyl)am...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(17-25-21-15-20(21)19-9-5-2-6-10-19)11-13-26(14-12-23)22(27)28-16-18-7-3-1-4-8-18/h1-10,20-21,25H,11-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472864
PNG
(4-((4-fluoro-4-(((trans-2-phenylcyclo- propyl)amin...)
Show SMILES OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H27FN2O2/c24-23(16-25-21-14-20(21)18-4-2-1-3-5-18)10-12-26(13-11-23)15-17-6-8-19(9-7-17)22(27)28/h1-9,20-21,25H,10-16H2,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM472890
PNG
(N-((1-fluorocyclohexyl)methyl)- trans-2-phenylcycl...)
Show SMILES FC1(CNC2CC2c2ccccc2)CCCCC1
Show InChI InChI=1S/C16H22FN/c17-16(9-5-2-6-10-16)12-18-15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2
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n/an/a 1.77E+5n/an/an/an/an/an/a


TBA

Assay Description
Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision™ (PerkinElmer, USA).MATERIALS: Human recom...


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