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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'stephens' and Initial = 'b'   
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))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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14n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 1 ...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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32n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 10...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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35n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 3 ...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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35n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 30...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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55n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 10...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151617
PNG
(US8987335, 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151617
PNG
(US8987335, 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445347
PNG
(CHEMBL3104252)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)NN=C(C)c1cc(Cl)ccc1O |w:15.15|
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)
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n/an/a 14n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445348
PNG
(CHEMBL3104350)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1O |w:2.2|
Show InChI InChI=1S/C19H21N3O5S/c1-14(17-7-2-3-8-18(17)23)20-21-19(24)15-5-4-6-16(13-15)28(25,26)22-9-11-27-12-10-22/h2-8,13,23H,9-12H2,1H3,(H,21,24)
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n/an/a 19n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445366
PNG
(CHEMBL3104342)
Show SMILES COc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NCC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-10-12-26(13-11-25)23(27)16-24-22-15-21(22)18-8-6-17(7-9-18)19-4-3-5-20(14-19)28-2/h3-9,14,21-22,24H,10-13,15-16H2,1-2H3/t21-,22+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151623
PNG
(US8987335, 24)
Show SMILES C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H14ClN3O4S/c1-9(13-6-11(16)3-4-14(13)20)18-19-15(21)10-5-12(8-17-7-10)24(2,22)23/h3-8,20H,1-2H3,(H,19,21)/b18-9+
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n/an/a 28n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151623
PNG
(US8987335, 24)
Show SMILES C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H14ClN3O4S/c1-9(13-6-11(16)3-4-14(13)20)18-19-15(21)10-5-12(8-17-7-10)24(2,22)23/h3-8,20H,1-2H3,(H,19,21)/b18-9+
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n/an/a 28n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151624
PNG
(US8987335, 25)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C16H15ClN2O4S/c1-10(14-9-12(17)6-7-15(14)20)18-19-16(21)11-4-3-5-13(8-11)24(2,22)23/h3-9,20H,1-2H3,(H,19,21)/b18-10+
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n/an/a 49n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151624
PNG
(US8987335, 25)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C16H15ClN2O4S/c1-10(14-9-12(17)6-7-15(14)20)18-19-16(21)11-4-3-5-13(8-11)24(2,22)23/h3-9,20H,1-2H3,(H,19,21)/b18-10+
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n/an/a 49n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445345
PNG
(CHEMBL3104340)
Show SMILES CN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1 |r|
Show InChI InChI=1S/C17H27N3/c1-19(2)15-8-10-20(13-15)11-9-18-17-12-16(17)14-6-4-3-5-7-14/h3-7,15-18H,8-13H2,1-2H3/t15-,16-,17+/m1/s1
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151610
PNG
(US8987335, 11 | US9555024, 11)
Show SMILES C\C(=N/NC(=O)c1ccccc1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+
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University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151610
PNG
(US8987335, 11 | US9555024, 11)
Show SMILES C\C(=N/NC(=O)c1ccccc1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+
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University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445344
PNG
(CHEMBL3104249)
Show SMILES CC(=NNC(=O)c1ccccc1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445343
PNG
(CHEMBL3104348 | US9555024, 4)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN2O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445343
PNG
(CHEMBL3104348 | US9555024, 4)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN2O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445343
PNG
(CHEMBL3104348 | US9555024, 4)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN2O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445342
PNG
(CHEMBL199600)
Show SMILES Oc1ccc(cc1)C(=O)NN=Cc1ccccc1O |w:11.12|
Show InChI InChI=1S/C14H12N2O3/c17-12-7-5-10(6-8-12)14(19)16-15-9-11-3-1-2-4-13(11)18/h1-9,17-18H,(H,16,19)
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151605
PNG
(US8987335, 1 | US9555024, 1)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
Show InChI InChI=1S/C14H12N2O3/c17-12-7-5-10(6-8-12)14(19)16-15-9-11-3-1-2-4-13(11)18/h1-9,17-18H,(H,16,19)/b15-9+
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University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151605
PNG
(US8987335, 1 | US9555024, 1)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
Show InChI InChI=1S/C14H12N2O3/c17-12-7-5-10(6-8-12)14(19)16-15-9-11-3-1-2-4-13(11)18/h1-9,17-18H,(H,16,19)/b15-9+
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University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445365
PNG
(CHEMBL3104344)
Show SMILES CCNCCCNC\C=C/CNCCCNCC
Show InChI InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5-
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21(DE3) using H3K4me2 as substrate by chemiluminescence assay


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445341
PNG
(CHEMBL3104346 | US9555024, 2)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C14H11ClN2O3/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+
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University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445341
PNG
(CHEMBL3104346 | US9555024, 2)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C14H11ClN2O3/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+
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University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445341
PNG
(CHEMBL3104346 | US9555024, 2)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C14H11ClN2O3/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(18)5-2-9/h1-8,18-19H,(H,17,20)/b16-8+
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151606
PNG
(US8987335, 3 | US9555024, 3)
Show SMILES C\C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C15H14N2O3/c1-10(13-4-2-3-5-14(13)19)16-17-15(20)11-6-8-12(18)9-7-11/h2-9,18-19H,1H3,(H,17,20)/b16-10+
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University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151606
PNG
(US8987335, 3 | US9555024, 3)
Show SMILES C\C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C15H14N2O3/c1-10(13-4-2-3-5-14(13)19)16-17-15(20)11-6-8-12(18)9-7-11/h2-9,18-19H,1H3,(H,17,20)/b16-10+
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University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445340
PNG
(CHEMBL3104347)
Show SMILES CC(=NNC(=O)c1ccc(O)cc1)c1ccccc1O |w:2.2|
Show InChI InChI=1S/C15H14N2O3/c1-10(13-4-2-3-5-14(13)19)16-17-15(20)11-6-8-12(18)9-7-11/h2-9,18-19H,1H3,(H,17,20)
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445339
PNG
(CHEMBL3104349 | US9555024, 5)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O2/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445339
PNG
(CHEMBL3104349 | US9555024, 5)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O2/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445339
PNG
(CHEMBL3104349 | US9555024, 5)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O2/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18/h1-9,18H,(H,17,19)/b16-9+
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151622
PNG
(US8987335, 23)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O3/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)23-7-9-26-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151622
PNG
(US8987335, 23)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O3/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)23-7-9-26-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM151605
PNG
(US8987335, 1 | US9555024, 1)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
Show InChI InChI=1S/C14H12N2O3/c17-12-7-5-10(6-8-12)14(19)16-15-9-11-3-1-2-4-13(11)18/h1-9,17-18H,(H,16,19)/b15-9+
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM151605
PNG
(US8987335, 1 | US9555024, 1)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
Show InChI InChI=1S/C14H12N2O3/c17-12-7-5-10(6-8-12)14(19)16-15-9-11-3-1-2-4-13(11)18/h1-9,17-18H,(H,16,19)/b15-9+
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University of Utah Research Foundation

US Patent


Assay Description
Inhibition of monoamine oxidase activity was carried used using the MAO-Glo.TM. Assay Kit according to the manufacturer's suggested protocol. Bri...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346864
PNG
(CHEMBL1797641 | CHEMBL3104337 | US8765820, 8)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445337
PNG
(CHEMBL3104339)
Show SMILES NC1CC1c1ccc(OCCC(NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O4/c27-23-16-22(23)17-8-12-21(13-9-17)33-15-14-24(26(32)28-19-4-2-1-3-5-19)29-25(31)18-6-10-20(30)11-7-18/h1-13,22-24,30H,14-16,27H2,(H,28,32)(H,29,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM151625
PNG
(US8987335, --)
Show SMILES N[C@@H]1CC1c1ccccc1 |r|
Show InChI InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/s2
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Inhibition of monoamine oxidase activity was carried used using the MAO-Glo.TM. Assay Kit according to the manufacturer's suggested protocol. Bri...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM151625
PNG
(US8987335, --)
Show SMILES N[C@@H]1CC1c1ccccc1 |r|
Show InChI InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/s2
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445336
PNG
(CHEMBL1797639)
Show SMILES NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23?,24?,25-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
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