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Compile Data Set for Download or QSAR

Found 537 hits Enz. Inhib. hit(s) with Target = 'LSD1/CoREST complex' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50346873
PNG
(CHEMBL1797652)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNN)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50346873
PNG
(CHEMBL1797652)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNN)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
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


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50446141
PNG
(CHEMBL3108901)
Show SMILES CC(N[C@H]1C[C@@H]1c1ccccc1)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/t13?,16-,17+/m1/s1
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5n/an/an/an/an/an/an/an/a


TBA

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 ...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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
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


TBA

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 ...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101261
PNG
(US8524717, 16)
Show SMILES N[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=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)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101276
PNG
(US8524717, 31)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101273
PNG
(US8524717, 28)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(F)c2)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101305
PNG
(US8524717, 60)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)C1CC1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101300
PNG
(US8524717, 55)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(Cl)c1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101274
PNG
(US8524717, 29)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101291
PNG
(US8524717, 46)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1F
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101304
PNG
(US8524717, 59)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(CCc2ccccc2)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101277
PNG
(US8524717, 32)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Br)c2)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101283
PNG
(US8524717, 38)
Show SMILES COc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101290
PNG
(US8524717, 45)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1CC1c1ccc(cc1)-c1cc(Cl)cc(Cl)c1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(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
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101293
PNG
(US8524717, 48)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1F
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101284
PNG
(US8524717, 39)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101271
PNG
(US8524717, 26)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=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)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101297
PNG
(US8524717, 52)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(F)c1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101257
PNG
(US8524717, 12)
Show SMILES CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50346870
PNG
(CHEMBL1797647)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(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](CCCN=C(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](CCCN=C(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(O)=O
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101287
PNG
(US8524717, 42)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101282
PNG
(US8524717, 37)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101275
PNG
(US8524717, 30)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101303
PNG
(US8524717, 58)
Show SMILES COc1ncccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1
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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50346870
PNG
(CHEMBL1797647)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(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](CCCN=C(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](CCCN=C(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(O)=O
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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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LSD1/CoREST complex expressed in Escherichia coli using methylated H3-K4 peptide as substrate by peroxidase-coupled a...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50346870
PNG
(CHEMBL1797647)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(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](CCCN=C(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](CCCN=C(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(O)=O
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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50n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM113742
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)
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59n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101301
PNG
(US8524717, 56)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O/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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59n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101299
PNG
(US8524717, 54)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C21H26N4O/c1-24-10-12-25(13-11-24)21(26)15-23-20-14-19(20)18-4-2-16(3-5-18)17-6-8-22-9-7-17/h2-9,19-20,23H,10-15H2,1H3/t19-,20+/m1/s1
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63n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101262
PNG
(US8524717, 17 | US8524717, 32)
Show SMILES O=C(CN[C@H]1C[C@@H]1c1ccccc1)N[C@H]1CCNC1
Show InChI InChI=1S/C15H21N3O/c19-15(18-12-6-7-16-9-12)10-17-14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14,16-17H,6-10H2,(H,18,19)/t12-,13+,14-/m0/s1
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72n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101296
PNG
(US8524717, 51)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3N3O2/c1-28-10-12-29(13-11-28)22(30)15-27-21-14-20(21)18-4-2-16(3-5-18)17-6-8-19(9-7-17)31-23(24,25)26/h2-9,20-21,27H,10-15H2,1H3/t20-,21+/m1/s1
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98n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM113750
PNG
((2E)-N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylprop-...)
Show SMILES NNCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O/c18-19-13-12-15-6-9-16(10-7-15)20-17(21)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13,18H2,(H,20,21)/b11-8+
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100n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101281
PNG
(US8524717, 36)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27N3O/c1-24-11-13-25(14-12-24)22(26)16-23-21-15-20(21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20-21,23H,11-16H2,1H3/t20-,21+/m1/s1
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100n/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)

More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM113753
PNG
(N-[4-(2-Hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)b...)
Show SMILES NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C20H24N4O/c21-23-13-12-15-8-10-17(11-9-15)24-20(25)7-3-4-16-14-22-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,22-23H,3-4,7,12-13,21H2,(H,24,25)
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100n/an/an/an/an/an/an/an/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50346875
PNG
(CHEMBL1797648)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN(C)CC#C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C98H176N36O28/c1-12-43-133(11)44-20-16-28-61(127-93(159)76(57(10)138)132-86(152)64(120-77(143)51(4)102)31-23-42-113-98(109)110)81(147)125-66(34-36-71(104)140)87(153)131-75(56(9)137)92(158)116-52(5)78(144)121-62(29-21-40-111-96(105)106)82(148)123-60(27-15-19-39-101)84(150)129-68(49-135)89(155)130-74(55(8)136)91(157)115-47-72(141)114-48-73(142)119-58(25-13-17-37-99)79(145)117-53(6)94(160)134-45-24-32-69(134)90(156)126-63(30-22-41-112-97(107)108)83(149)122-59(26-14-18-38-100)80(146)124-65(33-35-70(103)139)85(151)128-67(46-50(2)3)88(154)118-54(7)95(161)162/h1,50-69,74-76,135-138H,13-49,99-102H2,2-11H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,76-/m0/s1
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107n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM50346875
PNG
(CHEMBL1797648)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN(C)CC#C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C98H176N36O28/c1-12-43-133(11)44-20-16-28-61(127-93(159)76(57(10)138)132-86(152)64(120-77(143)51(4)102)31-23-42-113-98(109)110)81(147)125-66(34-36-71(104)140)87(153)131-75(56(9)137)92(158)116-52(5)78(144)121-62(29-21-40-111-96(105)106)82(148)123-60(27-15-19-39-101)84(150)129-68(49-135)89(155)130-74(55(8)136)91(157)115-47-72(141)114-48-73(142)119-58(25-13-17-37-99)79(145)117-53(6)94(160)134-45-24-32-69(134)90(156)126-63(30-22-41-112-97(107)108)83(149)122-59(26-14-18-38-100)80(146)124-65(33-35-70(103)139)85(151)128-67(46-50(2)3)88(154)118-54(7)95(161)162/h1,50-69,74-76,135-138H,13-49,99-102H2,2-11H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,76-/m0/s1
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107n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Citation and Details
More data for this
Ligand-Target Pair
LSD1/CoREST complex


(Homo sapiens (Human))
BDBM101260
PNG
(US8524717, 15)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C17H25N3O/c1-19(2)14-8-9-20(12-14)17(21)11-18-16-10-15(16)13-6-4-3-5-7-13/h3-7,14-16,18H,8-12H2,1-2H3/t14-,15-,16+/m1/s1
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118n/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)

More data for this
Ligand-Target Pair
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