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Patent code US11013718

Compile Data Set for Download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM424913
PNG
(US10517849, Compound 2 | US11013718, Compound 2)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(CO)CO
Show InChI InChI=1S/C22H32N2O2/c1-2-17(8-16-6-4-3-5-7-16)20-9-21(20)23-18-10-22(11-18)14-24(15-22)19(12-25)13-26/h3-8,18-21,23,25-26H,2,9-15H2,1H3/b17-8+/t20-,21+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424915
PNG
(US10517849, Compound 11 | US11013718, Compound 11)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCO)CC2
Show InChI InChI=1S/C23H34N2O/c1-2-19(14-18-6-4-3-5-7-18)21-15-22(21)24-20-16-23(17-20)8-10-25(11-9-23)12-13-26/h3-7,14,20-22,24,26H,2,8-13,15-17H2,1H3/b19-14+/t21-,22+/m0/s1
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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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424916
PNG
(US10517849, Compound 13 | US11013718, Compound 13)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2
Show InChI InChI=1S/C23H33N3O2/c1-2-18(10-17-6-4-3-5-7-17)20-11-21(20)25-19-12-23(13-19)15-26(16-23)14-22(28)24-8-9-27/h3-7,10,19-21,25,27H,2,8-9,11-16H2,1H3,(H,24,28)/b18-10+/t20-,21+/m0/s1
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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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424918
PNG
(US10517849, Compound 22 | US11013718, Compound 22)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCC(N)=O)C2
Show InChI InChI=1S/C22H31N3O/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)24-18-12-22(13-18)14-25(15-22)9-8-21(23)26/h3-7,10,18-20,24H,2,8-9,11-15H2,1H3,(H2,23,26)/b17-10+/t19-,20+/m0/s1
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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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424912
PNG
(2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclop...)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2
Show InChI InChI=1S/C21H30N2O/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)22-18-12-21(13-18)14-23(15-21)8-9-24/h3-7,10,18-20,22,24H,2,8-9,11-15H2,1H3/b17-10+/t19-,20+/m0/s1
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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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM498094
PNG
(2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclop...)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N(C1CC2(C1)CN(CCS(N)(=O)=O)C2)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O3S/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)29(21(30)23(24,25)26)18-12-22(13-18)14-28(15-22)8-9-33(27,31)32/h3-7,10,18-20H,2,8-9,11-15H2,1H3,(H2,27,31,32)/b17-10+/t19-,20+/m0/s1
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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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424917
PNG
(US10517849, Compound 17 | US11013718, Compound 17)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCOC)CC2
Show InChI InChI=1S/C24H36N2O/c1-3-20(15-19-7-5-4-6-8-19)22-16-23(22)25-21-17-24(18-21)9-11-26(12-10-24)13-14-27-2/h4-8,15,21-23,25H,3,9-14,16-18H2,1-2H3/b20-15+/t22-,23+/m0/s1
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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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424914
PNG
(US10517849, Compound 4 | US11013718, Compound 4)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCNS(C)(=O)=O)C2
Show InChI InChI=1S/C22H33N3O2S/c1-3-18(11-17-7-5-4-6-8-17)20-12-21(20)24-19-13-22(14-19)15-25(16-22)10-9-23-28(2,26)27/h4-8,11,19-21,23-24H,3,9-10,12-16H2,1-2H3/b18-11+/t20-,21+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



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 US11013718 (2021)

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


(Homo sapiens (Human))
BDBM424919
PNG
(US10517849, Compound 23 | US11013718, Compound 23)
Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCS(N)(=O)=O)CC2
Show InChI InChI=1S/C23H35N3O2S/c1-2-19(14-18-6-4-3-5-7-18)21-15-22(21)25-20-16-23(17-20)8-10-26(11-9-23)12-13-29(24,27)28/h3-7,14,20-22,25H,2,8-13,15-17H2,1H3,(H2,24,27,28)/b19-14+/t21-,22+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



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 US11013718 (2021)

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