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Compile Data Set for Download or QSAR

Found 495 hits of ki data for polymerid = 5309   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50346873
PNG
(CHEMBL1797652)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C94H173N37O28/c1-46(2)42-63(84(151)116-50(6)91(158)159)126-81(148)61(30-32-66(99)136)122-76(143)55(23-11-15-35-96)120-79(146)59(27-19-38-109-93(103)104)124-86(153)65-29-21-41-131(65)90(157)49(5)115-75(142)54(22-10-14-34-95)117-69(139)44-111-68(138)43-112-87(154)70(51(7)133)128-85(152)64(45-132)127-80(147)56(24-12-16-36-97)121-78(145)58(26-18-37-108-92(101)102)119-74(141)48(4)114-88(155)71(52(8)134)129-83(150)62(31-33-67(100)137)123-77(144)57(25-13-17-40-113-107)125-89(156)72(53(9)135)130-82(149)60(118-73(140)47(3)98)28-20-39-110-94(105)106/h46-65,70-72,113,132-135H,10-45,95-98,107H2,1-9H3,(H2,99,136)(H2,100,137)(H,111,138)(H,112,154)(H,114,155)(H,115,142)(H,116,151)(H,117,139)(H,118,140)(H,119,141)(H,120,146)(H,121,145)(H,122,143)(H,123,144)(H,124,153)(H,125,156)(H,126,148)(H,127,147)(H,128,152)(H,129,150)(H,130,149)(H,158,159)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346873
PNG
(CHEMBL1797652)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C94H173N37O28/c1-46(2)42-63(84(151)116-50(6)91(158)159)126-81(148)61(30-32-66(99)136)122-76(143)55(23-11-15-35-96)120-79(146)59(27-19-38-109-93(103)104)124-86(153)65-29-21-41-131(65)90(157)49(5)115-75(142)54(22-10-14-34-95)117-69(139)44-111-68(138)43-112-87(154)70(51(7)133)128-85(152)64(45-132)127-80(147)56(24-12-16-36-97)121-78(145)58(26-18-37-108-92(101)102)119-74(141)48(4)114-88(155)71(52(8)134)129-83(150)62(31-33-67(100)137)123-77(144)57(25-13-17-40-113-107)125-89(156)72(53(9)135)130-82(149)60(118-73(140)47(3)98)28-20-39-110-94(105)106/h46-65,70-72,113,132-135H,10-45,95-98,107H2,1-9H3,(H2,99,136)(H2,100,137)(H,111,138)(H,112,154)(H,114,155)(H,115,142)(H,116,151)(H,117,139)(H,118,140)(H,119,141)(H,120,146)(H,121,145)(H,122,143)(H,123,144)(H,124,153)(H,125,156)(H,126,148)(H,127,147)(H,128,152)(H,129,150)(H,130,149)(H,158,159)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of recombinant LSD1 (178 to 831) (unknown origin) expressed in baculovirus infected insect Sf9 cells using diMeK4H3-21 as substrate by per...


ACS Med Chem Lett 5: 29-33 (2014)


Article DOI: 10.1021/ml4002997
BindingDB Entry DOI: 10.7270/Q2HT2QS9
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50361478
PNG
(CHEMBL1938897)
Show SMILES CC(NC1CC1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H21NO2/c1-13(15-7-8-18-19(11-15)22-10-9-21-18)20-17-12-16(17)14-5-3-2-4-6-14/h2-8,11,13,16-17,20H,9-10,12H2,1H3
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5n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50446141
PNG
(CHEMBL3108901)
Show SMILES CC(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C19H21NO2/c1-13(15-7-8-18-19(11-15)22-10-9-21-18)20-17-12-16(17)14-5-3-2-4-6-14/h2-8,11,13,16-17,20H,9-10,12H2,1H3/t13?,16-,17+/m1/s1
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5n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using di-methylated H3-K4 peptide as substrate assessed as release of H2O2 preincubated for 15 mins followed by ...


ACS Med Chem Lett 5: 29-33 (2014)


Article DOI: 10.1021/ml4002997
BindingDB Entry DOI: 10.7270/Q2HT2QS9
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50586369
PNG
(CHEMBL5094265)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
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5.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 using K4me2 peptide as substrate measured after 10 mins by peroxidase-coupled reaction assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP
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 |r|
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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6.10n/an/an/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Time dependant inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli expression system assessed as inhi...


ACS Med Chem Lett 11: 1213-1220 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00060
BindingDB Entry DOI: 10.7270/Q22N55VZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50586368
PNG
(CHEMBL5073848)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
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7.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human LSD1 using K4me2 peptide as substrate measured after 10 mins by peroxidase-coupled reaction assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101302
PNG
(CHEMBL3108900 | US8524717, 57)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F4N3O/c1-29-8-10-30(11-9-29)22(31)14-28-21-13-19(21)16-4-2-15(3-5-16)18-12-17(24)6-7-20(18)23(25,26)27/h2-7,12,19,21,28H,8-11,13-14H2,1H3/t19-,21+/m1/s1
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9n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101302
PNG
(CHEMBL3108900 | US8524717, 57)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F4N3O/c1-29-8-10-30(11-9-29)22(31)14-28-21-13-19(21)16-4-2-15(3-5-16)18-12-17(24)6-7-20(18)23(25,26)27/h2-7,12,19,21,28H,8-11,13-14H2,1H3/t19-,21+/m1/s1
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9n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using di-methylated H3-K4 peptide as substrate assessed as release of H2O2 preincubated for 15 mins followed by ...


ACS Med Chem Lett 5: 29-33 (2014)


Article DOI: 10.1021/ml4002997
BindingDB Entry DOI: 10.7270/Q2HT2QS9
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50361481
PNG
(CHEMBL1938898)
Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F
Show InChI InChI=1S/C23H25F4N3O/c1-29-8-10-30(11-9-29)22(31)14-28-21-13-19(21)16-4-2-15(3-5-16)18-12-17(24)6-7-20(18)23(25,26)27/h2-7,12,19,21,28H,8-11,13-14H2,1H3
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9n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101261
PNG
(US8524717, 16)
Show SMILES N[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C15H21N3O/c16-12-6-7-18(10-12)15(19)9-17-14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10,16H2/t12-,13+,14-/m0/s1
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9n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
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 |r|
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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9.60n/an/an/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Time dependant inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli expression system assessed as inhi...


ACS Med Chem Lett 11: 1213-1220 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00060
BindingDB Entry DOI: 10.7270/Q22N55VZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597540
PNG
(CHEMBL5201156)
Show SMILES N[C@@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1 |r|
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597542
PNG
(CHEMBL5201621)
Show SMILES N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|
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13n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
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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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))
BDBM101276
PNG
(US8524717, 31)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C23H28ClN3O2/c1-26-10-12-27(13-11-26)23(28)15-25-22-14-21(22)18-4-8-20(9-5-18)29-16-17-2-6-19(24)7-3-17/h2-9,21-22,25H,10-16H2,1H3/t21-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101278
PNG
(US8524717, 33)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)[N+]#[C-])cc1 |r|
Show InChI InChI=1S/C24H28N4O2/c1-25-20-7-3-18(4-8-20)17-30-21-9-5-19(6-10-21)22-15-23(22)26-16-24(29)28-13-11-27(2)12-14-28/h3-10,22-23,26H,11-17H2,2H3/t22-,23+/m1/s1
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17n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101305
PNG
(US8524717, 60)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r|
Show InChI InChI=1S/C19H27N3O/c1-21-8-10-22(11-9-21)19(23)13-20-18-12-17(18)16-6-4-15(5-7-16)14-2-3-14/h4-7,14,17-18,20H,2-3,8-13H2,1H3/t17-,18+/m1/s1
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18n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101273
PNG
(US8524717, 28)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 |r|
Show InChI InChI=1S/C23H28FN3O2/c1-26-9-11-27(12-10-26)23(28)15-25-22-14-21(22)18-5-7-20(8-6-18)29-16-17-3-2-4-19(24)13-17/h2-8,13,21-22,25H,9-12,14-16H2,1H3/t21-,22+/m1/s1
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18n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101300
PNG
(US8524717, 55)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H26ClN3O/c1-25-9-11-26(12-10-25)22(27)15-24-21-14-20(21)17-7-5-16(6-8-17)18-3-2-4-19(23)13-18/h2-8,13,20-21,24H,9-12,14-15H2,1H3/t20-,21+/m1/s1
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21n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101274
PNG
(US8524717, 29)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C23H28FN3O2/c1-26-10-12-27(13-11-26)23(28)15-25-22-14-21(22)18-4-8-20(9-5-18)29-16-17-2-6-19(24)7-3-17/h2-9,21-22,25H,10-16H2,1H3/t21-,22+/m1/s1
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22n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101289
PNG
(US8524717, 44)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H29N3O3S/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-5-3-17(4-6-19)18-7-9-20(10-8-18)30(2,28)29/h3-10,21-22,24H,11-16H2,1-2H3/t21-,22+/m1/s1
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24n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101291
PNG
(US8524717, 46)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C22H25F2N3O/c1-26-8-10-27(11-9-26)22(28)14-25-21-13-19(21)16-4-2-15(3-5-16)18-7-6-17(23)12-20(18)24/h2-7,12,19,21,25H,8-11,13-14H2,1H3/t19-,21+/m1/s1
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24n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101283
PNG
(US8524717, 38)
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+/m1/s1
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25n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101277
PNG
(US8524717, 32)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Br)c2)cc1 |r|
Show InChI InChI=1S/C23H28BrN3O2/c1-26-9-11-27(12-10-26)23(28)15-25-22-14-21(22)18-5-7-20(8-6-18)29-16-17-3-2-4-19(24)13-17/h2-8,13,21-22,25H,9-12,14-16H2,1H3/t21-,22+/m1/s1
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25n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101304
PNG
(US8524717, 59)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H31N3O/c1-26-13-15-27(16-14-26)24(28)18-25-23-17-22(23)21-11-9-20(10-12-21)8-7-19-5-3-2-4-6-19/h2-6,9-12,22-23,25H,7-8,13-18H2,1H3/t22-,23+/m1/s1
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25n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101290
PNG
(US8524717, 45)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1CC1c1ccc(cc1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C22H25Cl2N3O/c1-26-6-8-27(9-7-26)22(28)14-25-21-13-20(21)16-4-2-15(3-5-16)17-10-18(23)12-19(24)11-17/h2-5,10-12,20-21,25H,6-9,13-14H2,1H3/t20?,21-/m0/s1
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26n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101285
PNG
(US8524717, 40)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C23H26N4O/c1-26-9-11-27(12-10-26)23(28)16-25-22-14-21(22)19-7-5-18(6-8-19)20-4-2-3-17(13-20)15-24/h2-8,13,21-22,25H,9-12,14,16H2,1H3/t21-,22+/m1/s1
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26n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597543
PNG
(CHEMBL5182939)
Show SMILES N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|
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27n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101286
PNG
(US8524717, 41)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H26N4O/c1-26-10-12-27(13-11-26)23(28)16-25-22-14-21(22)20-8-6-19(7-9-20)18-4-2-17(15-24)3-5-18/h2-9,21-22,25H,10-14,16H2,1H3/t21-,22+/m1/s1
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27n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142238
PNG
(CHEMBL3759201)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3
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29n/an/an/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Dissociation constant against galectin-3 using competitive fluorescence polarization


Eur J Med Chem 125: 940-951 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.021
BindingDB Entry DOI: 10.7270/Q2ZC8597
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101293
PNG
(US8524717, 48)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1F |r|
Show InChI InChI=1S/C22H26FN3O/c1-25-10-12-26(13-11-25)22(27)15-24-21-14-19(21)17-8-6-16(7-9-17)18-4-2-3-5-20(18)23/h2-9,19,21,24H,10-15H2,1H3/t19-,21+/m1/s1
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29n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142238
PNG
(CHEMBL3759201)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3
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29n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240130
PNG
(CHEMBL4060961)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C90H165N35O27S/c1-44(2)39-60(70(97)135)120-78(143)57(26-28-63(95)131)116-74(139)52(20-10-13-32-92)114-76(141)55(23-16-35-105-89(100)101)118-83(148)62-25-18-37-125(62)87(152)46(4)110-73(138)51(19-9-12-31-91)111-66(134)41-107-65(133)40-108-84(149)67(47(5)128)122-82(147)61(43-127)121-77(142)53(21-11-14-33-93)115-75(140)54(22-15-34-104-88(98)99)112-71(136)45(3)109-85(150)68(48(6)129)123-81(146)58(27-29-64(96)132)117-79(144)59(30-38-153-8)119-86(151)69(49(7)130)124-80(145)56(24-17-36-106-90(102)103)113-72(137)50(94)42-126/h44-62,67-69,126-130H,9-43,91-94H2,1-8H3,(H2,95,131)(H2,96,132)(H2,97,135)(H,107,133)(H,108,149)(H,109,150)(H,110,138)(H,111,134)(H,112,136)(H,113,137)(H,114,141)(H,115,140)(H,116,139)(H,117,144)(H,118,148)(H,119,151)(H,120,143)(H,121,142)(H,122,147)(H,123,146)(H,124,145)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106)/t45-,46-,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1
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30n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincu...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101284
PNG
(US8524717, 39)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-5-3-17(4-6-19)18-7-9-20(28-2)10-8-18/h3-10,21-22,24H,11-16H2,1-2H3/t21-,22+/m1/s1
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30n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101271
PNG
(US8524717, 26)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10,21-22,24H,11-17H2,1H3/t21-,22+/m1/s1
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30n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
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 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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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))
BDBM50346870
PNG
(CHEMBL1797647)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C93H169N35O28S/c1-45(2)41-62(83(148)113-49(6)90(155)156)123-79(144)59(28-30-65(98)133)119-75(140)54(22-12-15-34-95)117-77(142)57(25-18-37-107-92(102)103)121-85(150)64-27-20-39-128(64)89(154)48(5)112-74(139)53(21-11-14-33-94)114-68(136)43-109-67(135)42-110-86(151)69(50(7)130)125-84(149)63(44-129)124-78(143)55(23-13-16-35-96)118-76(141)56(24-17-36-106-91(100)101)116-73(138)47(4)111-87(152)70(51(8)131)126-82(147)60(29-31-66(99)134)120-80(145)61(32-40-157-10)122-88(153)71(52(9)132)127-81(146)58(115-72(137)46(3)97)26-19-38-108-93(104)105/h45-64,69-71,129-132H,11-44,94-97H2,1-10H3,(H2,98,133)(H2,99,134)(H,109,135)(H,110,151)(H,111,152)(H,112,139)(H,113,148)(H,114,136)(H,115,137)(H,116,138)(H,117,142)(H,118,141)(H,119,140)(H,120,145)(H,121,150)(H,122,153)(H,123,144)(H,124,143)(H,125,149)(H,126,147)(H,127,146)(H,155,156)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/t46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1
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40n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using methylated H3-K4 peptide as substrate by peroxidase-coupled assay


ACS Med Chem Lett 5: 29-33 (2014)


Article DOI: 10.1021/ml4002997
BindingDB Entry DOI: 10.7270/Q2HT2QS9
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240124
PNG
(CHEMBL4090728)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C93H170N36O27S/c1-45(2)41-62(84(150)112-47(4)72(100)138)124-80(146)59(28-30-65(98)134)120-76(142)54(22-12-15-34-95)118-78(144)57(25-18-37-108-92(103)104)122-86(152)64-27-20-39-129(64)90(156)49(6)114-75(141)53(21-11-14-33-94)115-68(137)43-110-67(136)42-111-87(153)69(50(7)131)126-85(151)63(44-130)125-79(145)55(23-13-16-35-96)119-77(143)56(24-17-36-107-91(101)102)117-74(140)48(5)113-88(154)70(51(8)132)127-83(149)60(29-31-66(99)135)121-81(147)61(32-40-157-10)123-89(155)71(52(9)133)128-82(148)58(116-73(139)46(3)97)26-19-38-109-93(105)106/h45-64,69-71,130-133H,11-44,94-97H2,1-10H3,(H2,98,134)(H2,99,135)(H2,100,138)(H,110,136)(H,111,153)(H,112,150)(H,113,154)(H,114,141)(H,115,137)(H,116,139)(H,117,140)(H,118,144)(H,119,143)(H,120,142)(H,121,147)(H,122,152)(H,123,155)(H,124,146)(H,125,145)(H,126,151)(H,127,149)(H,128,148)(H4,101,102,107)(H4,103,104,108)(H4,105,106,109)/t46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,69+,70+,71+/m1/s1
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40n/an/an/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 assessed as reduction in H2O2 production using pLys4Met H3 peptide as substrate by peroxidase coupled UV-visible spectrophot...


Bioorg Med Chem 25: 2617-2624 (2017)


Article DOI: 10.1016/j.bmc.2017.03.016
BindingDB Entry DOI: 10.7270/Q2KH0QG1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346870
PNG
(CHEMBL1797647)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C93H169N35O28S/c1-45(2)41-62(83(148)113-49(6)90(155)156)123-79(144)59(28-30-65(98)133)119-75(140)54(22-12-15-34-95)117-77(142)57(25-18-37-107-92(102)103)121-85(150)64-27-20-39-128(64)89(154)48(5)112-74(139)53(21-11-14-33-94)114-68(136)43-109-67(135)42-110-86(151)69(50(7)130)125-84(149)63(44-129)124-78(143)55(23-13-16-35-96)118-76(141)56(24-17-36-106-91(100)101)116-73(138)47(4)111-87(152)70(51(8)131)126-82(147)60(29-31-66(99)134)120-80(145)61(32-40-157-10)122-88(153)71(52(9)132)127-81(146)58(115-72(137)46(3)97)26-19-38-108-93(104)105/h45-64,69-71,129-132H,11-44,94-97H2,1-10H3,(H2,98,133)(H2,99,134)(H,109,135)(H,110,151)(H,111,152)(H,112,139)(H,113,148)(H,114,136)(H,115,137)(H,116,138)(H,117,142)(H,118,141)(H,119,140)(H,120,145)(H,121,150)(H,122,153)(H,123,144)(H,124,143)(H,125,149)(H,126,147)(H,127,146)(H,155,156)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/t46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A expressed in Escherichia coli using H3K4me as substrate by peroxidase coupled enzyme assay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101297
PNG
(US8524717, 52)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H26FN3O/c1-25-9-11-26(12-10-25)22(27)15-24-21-14-20(21)17-7-5-16(6-8-17)18-3-2-4-19(23)13-18/h2-8,13,20-21,24H,9-12,14-15H2,1H3/t20-,21+/m1/s1
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40n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101257
PNG
(US8524717, 12)
Show SMILES CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H25N3O/c1-12(11-19(2)3)18-16(20)10-17-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,18,20)/t12?,14-,15+/m1/s1
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40n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101287
PNG
(US8524717, 42)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H26FN3O/c1-25-10-12-26(13-11-25)22(27)15-24-21-14-20(21)18-4-2-16(3-5-18)17-6-8-19(23)9-7-17/h2-9,20-21,24H,10-15H2,1H3/t20-,21+/m1/s1
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42n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101282
PNG
(US8524717, 37)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-24-9-11-25(12-10-24)21(26)15-23-20-13-19(20)17-6-4-16(5-7-17)18-3-2-8-22-14-18/h2-8,14,19-20,23H,9-13,15H2,1H3/t19-,20+/m1/s1
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43n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142187
PNG
(CHEMBL3758634)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)33-21-7-5-20(6-8-21)24-23(19-3-1-17(14-29)2-4-19)13-22(15-31-24)32-16-18-9-11-30-12-10-18/h1-8,13,15,18,30H,9-12,16H2
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46n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101303
PNG
(US8524717, 58)
Show SMILES COc1ncccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C22H28N4O2/c1-25-10-12-26(13-11-25)21(27)15-24-20-14-19(20)17-7-5-16(6-8-17)18-4-3-9-23-22(18)28-2/h3-9,19-20,24H,10-15H2,1-2H3/t19-,20+/m1/s1
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47n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101275
PNG
(US8524717, 30)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C23H28ClN3O2/c1-26-9-11-27(12-10-26)23(28)15-25-22-14-21(22)18-5-7-20(8-6-18)29-16-17-3-2-4-19(24)13-17/h2-8,13,21-22,25H,9-12,14-16H2,1H3/t21-,22+/m1/s1
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47n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179840
PNG
(US9676701, 75 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1S/C17H20N2O3S/c1-22-17-8-7-13(19-23(2,20)21)9-15(17)12-5-3-11(4-6-12)14-10-16(14)18/h3-9,14,16,19H,10,18H2,1-2H3/t14-,16+/m1/s1
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50 -9.95n/an/an/an/an/a7.425



ORYZON GENOMICS, S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
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