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Patent code US10301253

Compile Data Set for Download or QSAR

Found 203 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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM391883
PNG
(US10301253, Example 33 | methyl 4-((4-(((2',3'- di...)
Show SMILES COC(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C26H32N2O2/c1-30-25(29)22-8-6-20(7-9-22)18-28-14-11-19(12-15-28)17-27-24-16-26(24)13-10-21-4-2-3-5-23(21)26/h2-9,19,24,27H,10-18H2,1H3
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US Patent
n/an/a 12.2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391883
PNG
(US10301253, Example 33 | methyl 4-((4-(((2',3'- di...)
Show SMILES COC(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C26H32N2O2/c1-30-25(29)22-8-6-20(7-9-22)18-28-14-11-19(12-15-28)17-27-24-16-26(24)13-10-21-4-2-3-5-23(21)26/h2-9,19,24,27H,10-18H2,1H3
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n/an/a 14.8n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391911
PNG
(N-(3- (aminomethyl)cyclobutyl)- 2',3'- dihydrospir...)
Show SMILES NCC1CC(C1)NC1CC11CCc2ccccc12
Show InChI InChI=1S/C16H22N2/c17-10-11-7-13(8-11)18-15-9-16(15)6-5-12-3-1-2-4-14(12)16/h1-4,11,13,15,18H,5-10,17H2
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n/an/a 19.3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391892
PNG
(N-((1-methylpiperidin-4- yl)methyl)-2',3'- dihydro...)
Show SMILES CN1CCC(CNC2CC22CCc3ccccc23)CC1
Show InChI InChI=1S/C18H26N2/c1-20-10-7-14(8-11-20)13-19-17-12-18(17)9-6-15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3
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n/an/a 21n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391892
PNG
(N-((1-methylpiperidin-4- yl)methyl)-2',3'- dihydro...)
Show SMILES CN1CCC(CNC2CC22CCc3ccccc23)CC1
Show InChI InChI=1S/C18H26N2/c1-20-10-7-14(8-11-20)13-19-17-12-18(17)9-6-15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3
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n/an/a 25.1n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391938
PNG
(US10301253, Example 90 | US10301253, Example 91)
Show SMILES Clc1cc2CCC3(CC3NCC3CCNCC3)c2cc1Cl
Show InChI InChI=1S/C17H22Cl2N2/c18-14-7-12-1-4-17(13(12)8-15(14)19)9-16(17)21-10-11-2-5-20-6-3-11/h7-8,11,16,20-21H,1-6,9-10H2
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n/an/a 29.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391919
PNG
(N-(2',3'- dihydrospiro[cyclopropane- 1,1'-inden]-2...)
Show SMILES C1C(NC2CC3(CNC3)C2)C11CCc2ccccc12
Show InChI InChI=1S/C17H22N2/c1-2-4-14-12(3-1)5-6-17(14)9-15(17)19-13-7-16(8-13)10-18-11-16/h1-4,13,15,18-19H,5-11H2
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n/an/a 30.6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391955
PNG
(US10301253, Example 107)
Show SMILES OC1(CNC2CC22CCc3ccccc23)CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H30N2O3/c28-23(30-17-19-6-2-1-3-7-19)27-14-12-24(29,13-15-27)18-26-22-16-25(22)11-10-20-8-4-5-9-21(20)25/h1-9,22,26,29H,10-18H2
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n/an/a 30.9n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391911
PNG
(N-(3- (aminomethyl)cyclobutyl)- 2',3'- dihydrospir...)
Show SMILES NCC1CC(C1)NC1CC11CCc2ccccc12
Show InChI InChI=1S/C16H22N2/c17-10-11-7-13(8-11)18-15-9-16(15)6-5-12-3-1-2-4-14(12)16/h1-4,11,13,15,18H,5-10,17H2
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n/an/a 31.8n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391919
PNG
(N-(2',3'- dihydrospiro[cyclopropane- 1,1'-inden]-2...)
Show SMILES C1C(NC2CC3(CNC3)C2)C11CCc2ccccc12
Show InChI InChI=1S/C17H22N2/c1-2-4-14-12(3-1)5-6-17(14)9-15(17)19-13-7-16(8-13)10-18-11-16/h1-4,13,15,18-19H,5-11H2
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n/an/a 32.2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391912
PNG
(N-(piperidin-4-ylmethyl)- 2',3'- dihydrospiro[cycl...)
Show SMILES C(NC1CC11CCc2ccccc12)C1CCNCC1
Show InChI InChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2
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n/an/a 32.8n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391955
PNG
(US10301253, Example 107)
Show SMILES OC1(CNC2CC22CCc3ccccc23)CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H30N2O3/c28-23(30-17-19-6-2-1-3-7-19)27-14-12-24(29,13-15-27)18-26-22-16-25(22)11-10-20-8-4-5-9-21(20)25/h1-9,22,26,29H,10-18H2
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n/an/a 33n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391921
PNG
(6'-methyl-N-(piperidin-4- ylmethyl)-2',3'- dihydro...)
Show SMILES Cc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C18H26N2/c1-13-2-3-15-4-7-18(16(15)10-13)11-17(18)20-12-14-5-8-19-9-6-14/h2-3,10,14,17,19-20H,4-9,11-12H2,1H3
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n/an/a 34.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391921
PNG
(6'-methyl-N-(piperidin-4- ylmethyl)-2',3'- dihydro...)
Show SMILES Cc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C18H26N2/c1-13-2-3-15-4-7-18(16(15)10-13)11-17(18)20-12-14-5-8-19-9-6-14/h2-3,10,14,17,19-20H,4-9,11-12H2,1H3
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n/an/a 36.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391885
PNG
(N-((tetrahydro-2H-pyran-4- yl)methyl)-3',4'-dihydr...)
Show SMILES C(NC1CC11CCCc2ccccc12)C1CCOCC1
Show InChI InChI=1S/C18H25NO/c1-2-6-16-15(4-1)5-3-9-18(16)12-17(18)19-13-14-7-10-20-11-8-14/h1-2,4,6,14,17,19H,3,5,7-13H2
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n/an/a 37n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391918
PNG
(N-(2-(azetidin-3-yl)ethyl)-6'- chloro-2',3'- dihyd...)
Show SMILES Clc1ccc2CCC3(CC3NCCC3CNC3)c2c1
Show InChI InChI=1S/C16H21ClN2/c17-13-2-1-12-3-5-16(14(12)7-13)8-15(16)19-6-4-11-9-18-10-11/h1-2,7,11,15,18-19H,3-6,8-10H2
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n/an/a 38.2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391902
PNG
(N-(3',4'-dihydro-2'H- spiro[cyclopropane-1,1'- nap...)
Show SMILES C1C(NC2CCNCC2)C11CCCc2ccccc12
Show InChI InChI=1S/C17H24N2/c1-2-6-15-13(4-1)5-3-9-17(15)12-16(17)19-14-7-10-18-11-8-14/h1-2,4,6,14,16,18-19H,3,5,7-12H2
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n/an/a 38.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391864
PNG
(6'-bromo-2',3'- dihydrospiro [cyclopropane- 1,1'-i...)
Show SMILES NC1CC11CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H12BrN/c12-8-2-1-7-3-4-11(6-10(11)13)9(7)5-8/h1-2,5,10H,3-4,6,13H2
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n/an/a 38.6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391913
PNG
(5'-chloro-N-(piperidin-4- ylmethyl)-2',3'- dihydro...)
Show SMILES Clc1ccc2c(CCC22CC2NCC2CCNCC2)c1
Show InChI InChI=1S/C17H23ClN2/c18-14-1-2-15-13(9-14)3-6-17(15)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 40.7n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391897
PNG
(3-[(spiro[cyclopropane-2,1'- indane]-1- ylamino)me...)
Show SMILES Nc1ncccc1CNC1CC11CCc2ccccc12
Show InChI InChI=1S/C17H19N3/c18-16-13(5-3-9-19-16)11-20-15-10-17(15)8-7-12-4-1-2-6-14(12)17/h1-6,9,15,20H,7-8,10-11H2,(H2,18,19)
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n/an/a 43.6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391920
PNG
(2-((piperidin-4- ylmethyl)amino)-2',3'- dihydrospi...)
Show SMILES N#Cc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C18H23N3/c19-11-14-1-2-15-3-6-18(16(15)9-14)10-17(18)21-12-13-4-7-20-8-5-13/h1-2,9,13,17,20-21H,3-8,10,12H2
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n/an/a 44n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391888
PNG
(N-((1-methyl-1H-pyrazol-3- yl)methyl)-2',3'- dihyd...)
Show SMILES Cn1ccc(CNC2CC22CCc3ccccc23)n1
Show InChI InChI=1S/C16H19N3/c1-19-9-7-13(18-19)11-17-15-10-16(15)8-6-12-4-2-3-5-14(12)16/h2-5,7,9,15,17H,6,8,10-11H2,1H3
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n/an/a 46.2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391918
PNG
(N-(2-(azetidin-3-yl)ethyl)-6'- chloro-2',3'- dihyd...)
Show SMILES Clc1ccc2CCC3(CC3NCCC3CNC3)c2c1
Show InChI InChI=1S/C16H21ClN2/c17-13-2-1-12-3-5-16(14(12)7-13)8-15(16)19-6-4-11-9-18-10-11/h1-2,7,11,15,18-19H,3-6,8-10H2
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n/an/a 46.8n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391897
PNG
(3-[(spiro[cyclopropane-2,1'- indane]-1- ylamino)me...)
Show SMILES Nc1ncccc1CNC1CC11CCc2ccccc12
Show InChI InChI=1S/C17H19N3/c18-16-13(5-3-9-19-16)11-20-15-10-17(15)8-7-12-4-1-2-6-14(12)17/h1-6,9,15,20H,7-8,10-11H2,(H2,18,19)
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n/an/a 47.2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391899
PNG
(N-((1-(4- (methylsulfonyl) benzyl)piperidin-4- yl)...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C25H32N2O2S/c1-30(28,29)22-8-6-20(7-9-22)18-27-14-11-19(12-15-27)17-26-24-16-25(24)13-10-21-4-2-3-5-23(21)25/h2-9,19,24,26H,10-18H2,1H3
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n/an/a 47.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391913
PNG
(5'-chloro-N-(piperidin-4- ylmethyl)-2',3'- dihydro...)
Show SMILES Clc1ccc2c(CCC22CC2NCC2CCNCC2)c1
Show InChI InChI=1S/C17H23ClN2/c18-14-1-2-15-13(9-14)3-6-17(15)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 47.5n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391917
PNG
(N-(3- (aminomethyl)cyclobutyl)-6'- chloro-2',3'- d...)
Show SMILES NCC1CC(C1)NC1CC11CCc2ccc(Cl)cc12
Show InChI InChI=1S/C16H21ClN2/c17-12-2-1-11-3-4-16(14(11)7-12)8-15(16)19-13-5-10(6-13)9-18/h1-2,7,10,13,15,19H,3-6,8-9,18H2
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n/an/a 48.3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391917
PNG
(N-(3- (aminomethyl)cyclobutyl)-6'- chloro-2',3'- d...)
Show SMILES NCC1CC(C1)NC1CC11CCc2ccc(Cl)cc12
Show InChI InChI=1S/C16H21ClN2/c17-12-2-1-11-3-4-16(14(11)7-12)8-15(16)19-13-5-10(6-13)9-18/h1-2,7,10,13,15,19H,3-6,8-9,18H2
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n/an/a 48.3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391885
PNG
(N-((tetrahydro-2H-pyran-4- yl)methyl)-3',4'-dihydr...)
Show SMILES C(NC1CC11CCCc2ccccc12)C1CCOCC1
Show InChI InChI=1S/C18H25NO/c1-2-6-16-15(4-1)5-3-9-18(16)12-17(18)19-13-14-7-10-20-11-8-14/h1-2,4,6,14,17,19H,3,5,7-13H2
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n/an/a 48.5n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391910
PNG
(6'-chloro-N-(piperidin-4- ylmethyl)-2',3'- dihydro...)
Show SMILES Clc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C17H23ClN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 48.9n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391920
PNG
(2-((piperidin-4- ylmethyl)amino)-2',3'- dihydrospi...)
Show SMILES N#Cc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C18H23N3/c19-11-14-1-2-15-3-6-18(16(15)9-14)10-17(18)21-12-13-4-7-20-8-5-13/h1-2,9,13,17,20-21H,3-8,10,12H2
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n/an/a 49.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391899
PNG
(N-((1-(4- (methylsulfonyl) benzyl)piperidin-4- yl)...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C25H32N2O2S/c1-30(28,29)22-8-6-20(7-9-22)18-27-14-11-19(12-15-27)17-26-24-16-25(24)13-10-21-4-2-3-5-23(21)25/h2-9,19,24,26H,10-18H2,1H3
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n/an/a 50n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391902
PNG
(N-(3',4'-dihydro-2'H- spiro[cyclopropane-1,1'- nap...)
Show SMILES C1C(NC2CCNCC2)C11CCCc2ccccc12
Show InChI InChI=1S/C17H24N2/c1-2-6-15-13(4-1)5-3-9-17(15)12-16(17)19-14-7-10-18-11-8-14/h1-2,4,6,14,16,18-19H,3,5,7-12H2
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n/an/a 52.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391916
PNG
(N-(piperidin-4-ylmethyl)-6'- (pyridin-3-yl)-2',3'-...)
Show SMILES C(NC1CC11CCc2ccc(cc12)-c1cccnc1)C1CCNCC1
Show InChI InChI=1S/C22H27N3/c1-2-19(15-24-9-1)18-4-3-17-5-8-22(20(17)12-18)13-21(22)25-14-16-6-10-23-11-7-16/h1-4,9,12,15-16,21,23,25H,5-8,10-11,13-14H2
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n/an/a 53.8n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391859
PNG
(6'-chloro-2',3'- dihydrospiro [cyclopropane- 1,1'-...)
Show SMILES NC1CC11CCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H12ClN/c12-8-2-1-7-3-4-11(6-10(11)13)9(7)5-8/h1-2,5,10H,3-4,6,13H2
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n/an/a 54.2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391896
PNG
(N-((1-methyl-1H-pyrazol-4- yl)methyl)-2',3'- dihyd...)
Show SMILES Cn1cc(CNC2CC22CCc3ccccc23)cn1
Show InChI InChI=1S/C16H19N3/c1-19-11-12(10-18-19)9-17-15-8-16(15)7-6-13-4-2-3-5-14(13)16/h2-5,10-11,15,17H,6-9H2,1H3
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n/an/a 55.5n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391910
PNG
(6'-chloro-N-(piperidin-4- ylmethyl)-2',3'- dihydro...)
Show SMILES Clc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C17H23ClN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 55.6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391899
PNG
(N-((1-(4- (methylsulfonyl) benzyl)piperidin-4- yl)...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C25H32N2O2S/c1-30(28,29)22-8-6-20(7-9-22)18-27-14-11-19(12-15-27)17-26-24-16-25(24)13-10-21-4-2-3-5-23(21)25/h2-9,19,24,26H,10-18H2,1H3
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n/an/a 56.7n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391925
PNG
(N1-(6''-chloro-2'',3''- dihydrospiro[cyclopropane-...)
Show SMILES NC1CCC(CC1)NC1CC11CCc2ccc(Cl)cc12
Show InChI InChI=1S/C17H23ClN2/c18-12-2-1-11-7-8-17(15(11)9-12)10-16(17)20-14-5-3-13(19)4-6-14/h1-2,9,13-14,16,20H,3-8,10,19H2
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n/an/a 57.5n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391929
PNG
(6''-fluoro-N-(piperidin-4- ylmethyl)-2'',3''- dihy...)
Show SMILES Fc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C17H23FN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 57.6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391929
PNG
(6''-fluoro-N-(piperidin-4- ylmethyl)-2'',3''- dihy...)
Show SMILES Fc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C17H23FN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 58.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391916
PNG
(N-(piperidin-4-ylmethyl)-6'- (pyridin-3-yl)-2',3'-...)
Show SMILES C(NC1CC11CCc2ccc(cc12)-c1cccnc1)C1CCNCC1
Show InChI InChI=1S/C22H27N3/c1-2-19(15-24-9-1)18-4-3-17-5-8-22(20(17)12-18)13-21(22)25-14-16-6-10-23-11-7-16/h1-4,9,12,15-16,21,23,25H,5-8,10-11,13-14H2
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n/an/a 60.7n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391925
PNG
(N1-(6''-chloro-2'',3''- dihydrospiro[cyclopropane-...)
Show SMILES NC1CCC(CC1)NC1CC11CCc2ccc(Cl)cc12
Show InChI InChI=1S/C17H23ClN2/c18-12-2-1-11-7-8-17(15(11)9-12)10-16(17)20-14-5-3-13(19)4-6-14/h1-2,9,13-14,16,20H,3-8,10,19H2
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n/an/a 64.6n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391899
PNG
(N-((1-(4- (methylsulfonyl) benzyl)piperidin-4- yl)...)
Show SMILES CS(=O)(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
Show InChI InChI=1S/C25H32N2O2S/c1-30(28,29)22-8-6-20(7-9-22)18-27-14-11-19(12-15-27)17-26-24-16-25(24)13-10-21-4-2-3-5-23(21)25/h2-9,19,24,26H,10-18H2,1H3
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n/an/a 64.7n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391929
PNG
(6''-fluoro-N-(piperidin-4- ylmethyl)-2'',3''- dihy...)
Show SMILES Fc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C17H23FN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 64.8n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391901
PNG
(Boc Deprotection | US10301253, Example 52)
Show SMILES C(NC1CC11CCCc2ccccc12)C1CCNCC1
Show InChI InChI=1S/C18H26N2/c1-2-6-16-15(4-1)5-3-9-18(16)12-17(18)20-13-14-7-10-19-11-8-14/h1-2,4,6,14,17,19-20H,3,5,7-13H2
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n/an/a 65.4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391864
PNG
(6'-bromo-2',3'- dihydrospiro [cyclopropane- 1,1'-i...)
Show SMILES NC1CC11CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H12BrN/c12-8-2-1-7-3-4-11(6-10(11)13)9(7)5-8/h1-2,5,10H,3-4,6,13H2
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US Patent
n/an/a 67.2n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391925
PNG
(N1-(6''-chloro-2'',3''- dihydrospiro[cyclopropane-...)
Show SMILES NC1CCC(CC1)NC1CC11CCc2ccc(Cl)cc12
Show InChI InChI=1S/C17H23ClN2/c18-12-2-1-11-7-8-17(15(11)9-12)10-16(17)20-14-5-3-13(19)4-6-14/h1-2,9,13-14,16,20H,3-8,10,19H2
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n/an/a 67.3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391912
PNG
(N-(piperidin-4-ylmethyl)- 2',3'- dihydrospiro[cycl...)
Show SMILES C(NC1CC11CCc2ccccc12)C1CCNCC1
Show InChI InChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2
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n/an/a 67.5n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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


(Homo sapiens (Human))
BDBM391929
PNG
(6''-fluoro-N-(piperidin-4- ylmethyl)-2'',3''- dihy...)
Show SMILES Fc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Show InChI InChI=1S/C17H23FN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
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n/an/a 73n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions ...


US Patent US10301253 (2019)

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