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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'fu' and Initial = 'yd'   
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))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAO-A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481823
PNG
(CHEMBL5285949)
Show SMILES CCNC1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)
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More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481825
PNG
(CHEMBL5277258)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H13N3O4S/c15-22(20,21)13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17(18)19/h1-8,10H,9H2,(H2,15,20,21)/b16-10+
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50483926
PNG
(CHEMBL5285505)
Show SMILES [H][C@@]1(O[C@@H]2\C=C(C)\C\C=C(C)\C(=O)O[C@@H]([C@@H](C)\C=C\C=C(C)\[C@@H](OC)[C@@H](C)[C@H](O)\C=C\C(\C)=C/C(/CO)=C\[C@@H]2C)c2csc(n2)[C@H](CC(C)C)OC(=O)NC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,c:4,8,19,32,36,t:17,29|
Show InChI InChI=1S/C48H72N2O13S/c1-26(2)19-38(62-48(58)49-10)45-50-35(25-64-45)44-30(6)14-12-13-29(5)43(59-11)33(9)36(53)18-16-27(3)20-34(23-51)22-32(8)37(21-28(4)15-17-31(7)46(57)63-44)60-47-42(56)41(55)40(54)39(24-52)61-47/h12-14,16-18,20-22,25-26,30,32-33,36-44,47,51-56H,15,19,23-24H2,1-11H3,(H,49,58)/b14-12+,18-16+,27-20-,28-21+,29-13+,31-17+,34-22+/t30-,32-,33-,36+,37+,38-,39+,40+,41-,42+,43+,44-,47+/m0/s1
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Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481821
PNG
(CHEMBL5277129)
Show SMILES COc1ccccc1\C=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H14N2O3S/c1-19-14-5-3-2-4-11(14)10-16-12-6-8-13(9-7-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481822
PNG
(CHEMBL5274997)
Show SMILES NS(=O)(=O)C1C=CC(NC(=O)CCN2CCN(Cc3ccccc3)CC2)C=C1 |c:5,28,(39.18,-9.59,;38.41,-8.26,;38,-6.76,;39.89,-7.85,;36.87,-8.26,;36.1,-9.58,;34.56,-9.58,;33.79,-8.26,;32.25,-8.26,;31.48,-6.93,;32.25,-5.59,;29.94,-6.93,;29.17,-5.59,;27.63,-5.6,;26.87,-4.26,;25.33,-4.26,;24.56,-5.59,;23.02,-5.59,;22.25,-6.92,;20.71,-6.91,;19.94,-8.24,;20.7,-9.58,;22.25,-9.58,;23.02,-8.25,;25.33,-6.93,;26.87,-6.93,;34.56,-6.92,;36.1,-6.92,)|
Show InChI InChI=1S/C20H28N4O3S/c21-28(26,27)19-8-6-18(7-9-19)22-20(25)10-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-9,18-19H,10-16H2,(H,22,25)(H2,21,26,27)
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More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569501
PNG
(CHEMBL4857832)
Show SMILES COc1ccc(OC)c(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50482594
PNG
(CHEMBL5290962)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H](O)[C@H](NC(C)=O)[C@@]1([H])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|
Show InChI InChI=1S/C32H54N4O21/c1-9(40)33-17-24(47)21(44)13(5-37)53-30(17)51-8-16-27(56-31-18(34-10(2)41)25(48)22(45)14(6-38)54-31)28(20(29(50)52-16)36-12(4)43)57-32-19(35-11(3)42)26(49)23(46)15(7-39)55-32/h13-32,37-39,44-50H,5-8H2,1-4H3,(H,33,40)(H,34,41)(H,35,42)(H,36,43)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+/m1/s1
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More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569495
PNG
(CHEMBL4860694)
Show SMILES COc1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569491
PNG
(CHEMBL4870850)
Show SMILES COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569489
PNG
(CHEMBL4851999)
Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451592
PNG
(CHEMBL4212776)
Show SMILES Oc1ccc(Cl)cc1\C=N\NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18ClN3O5S/c19-15-4-5-17(23)14(10-15)12-20-21-18(24)13-2-1-3-16(11-13)28(25,26)22-6-8-27-9-7-22/h1-5,10-12,23H,6-9H2,(H,21,24)/b20-12+
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569499
PNG
(CHEMBL4855257)
Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1ccc(cc1)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM195612
PNG
(GSK467)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12
Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569500
PNG
(CHEMBL4871555)
Show SMILES COc1ccc(OC)c(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
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Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569494
PNG
(CHEMBL4853386)
Show SMILES COc1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569493
PNG
(CHEMBL4855751)
Show SMILES COc1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
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Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191599
PNG
(KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...)
Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3
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More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481826
PNG
(CHEMBL5268579)
Show SMILES CC(=O)Nc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O3S/c1-11(19)18-14-4-2-12(3-5-14)10-17-13-6-8-15(9-7-13)22(16,20)21/h2-10H,1H3,(H,18,19)(H2,16,20,21)/b17-10+
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Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481827
PNG
(CHEMBL5269187)
Show SMILES CN1CCN(CCC(=O)NC2C=CC(C=C2)S(N)(=O)=O)CC1 |c:11,14,(1.46,-6.03,;3,-6.03,;3.77,-4.7,;5.31,-4.7,;6.07,-6.04,;7.61,-6.04,;8.38,-7.37,;9.92,-7.37,;10.69,-6.03,;10.69,-8.7,;12.23,-8.7,;13,-10.03,;14.54,-10.03,;15.31,-8.7,;14.54,-7.36,;13,-7.36,;16.85,-8.7,;17.62,-10.04,;16.44,-7.2,;18.33,-8.29,;5.31,-7.38,;3.77,-7.37,)|
Show InChI InChI=1S/C14H24N4O3S/c1-17-8-10-18(11-9-17)7-6-14(19)16-12-2-4-13(5-3-12)22(15,20)21/h2-5,12-13H,6-11H2,1H3,(H,16,19)(H2,15,20,21)
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569503
PNG
(CHEMBL4872523)
Show SMILES COc1cc(OC)cc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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TBA

Assay Description
Inhibition of MAO-B (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451589
PNG
(CHEMBL4204049)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(O)c1 |r|
Show InChI InChI=1S/C22H26F2N4O2/c1-3-28(4-2)16-7-5-15(21(29)10-16)12-26-27-22(30)13-25-20-11-17(20)14-6-8-18(23)19(24)9-14/h5-10,12,17,20,25,29H,3-4,11,13H2,1-2H3,(H,27,30)/b26-12+/t17-,20+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM223318
PNG
(KDOAM-28)
Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
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More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569497
PNG
(CHEMBL4848412)
Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1cccc(c1)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569492
PNG
(CHEMBL4873063)
Show SMILES COc1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569502
PNG
(CHEMBL4877309)
Show SMILES COc1cc(OC)cc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569496
PNG
(CHEMBL4863954)
Show SMILES FC(F)(F)c1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
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Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451591
PNG
(CHEMBL4208387)
Show SMILES CCOc1cccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1O |r|
Show InChI InChI=1S/C20H21F2N3O3/c1-2-28-18-5-3-4-13(20(18)27)10-24-25-19(26)11-23-17-9-14(17)12-6-7-15(21)16(22)8-12/h3-8,10,14,17,23,27H,2,9,11H2,1H3,(H,25,26)/b24-10+/t14-,17+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50396019
PNG
(4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-...)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)
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Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569488
PNG
(CHEMBL4865242)
Show SMILES C(N[C@@H]1C[C@H]1c1ccccc1)c1cn(nn1)-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569490
PNG
(CHEMBL4873001)
Show SMILES COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50569498
PNG
(CHEMBL4850149)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451583
PNG
(CHEMBL4216474)
Show SMILES C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(O)ccc1O |r|
Show InChI InChI=1S/C19H19F2N3O3/c1-10(13-7-12(25)3-5-18(13)26)23-24-19(27)9-22-17-8-14(17)11-2-4-15(20)16(21)6-11/h2-7,14,17,22,25-26H,8-9H2,1H3,(H,24,27)/b23-10+/t14-,17+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451590
PNG
(CHEMBL4215722)
Show SMILES COc1ccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(O)c1 |r|
Show InChI InChI=1S/C19H19F2N3O3/c1-27-13-4-2-12(18(25)7-13)9-23-24-19(26)10-22-17-8-14(17)11-3-5-15(20)16(21)6-11/h2-7,9,14,17,22,25H,8,10H2,1H3,(H,24,26)/b23-9+/t14-,17+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481824
PNG
(CHEMBL5276370)
Show SMILES NS(=O)(=O)C1C=CC(NC(=O)CCN2CCC(Cc3ccccc3)CC2)C=C1 |c:5,28,(25.78,-18.17,;25.01,-16.84,;24.6,-15.34,;26.49,-16.43,;23.47,-16.83,;22.7,-18.16,;21.16,-18.16,;20.39,-16.83,;18.85,-16.84,;18.08,-15.5,;18.85,-14.17,;16.54,-15.51,;15.77,-14.17,;14.23,-14.18,;13.47,-12.84,;11.93,-12.84,;11.16,-14.17,;9.62,-14.17,;8.84,-15.5,;7.31,-15.49,;6.53,-16.82,;7.3,-18.16,;8.85,-18.16,;9.61,-16.82,;11.93,-15.51,;13.47,-15.51,;21.16,-15.5,;22.7,-15.5,)|
Show InChI InChI=1S/C21H29N3O3S/c22-28(26,27)20-8-6-19(7-9-20)23-21(25)12-15-24-13-10-18(11-14-24)16-17-4-2-1-3-5-17/h1-9,18-20H,10-16H2,(H,23,25)(H2,22,26,27)
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Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451576
PNG
(CHEMBL4205178)
Show SMILES C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19F2N3O/c1-12(13-5-3-2-4-6-13)23-24-19(25)11-22-18-10-15(18)14-7-8-16(20)17(21)9-14/h2-9,15,18,22H,10-11H2,1H3,(H,24,25)/b23-12+/t15-,18+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50481820
PNG
(CHEMBL5268613)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\C=C\c1ccccc1
Show InChI InChI=1S/C15H14N2O2S/c16-20(18,19)15-10-8-14(9-11-15)17-12-4-7-13-5-2-1-3-6-13/h1-12H,(H2,16,18,19)/b7-4+,17-12+
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Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451582
PNG
(CHEMBL4214175)
Show SMILES C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1O |r|
Show InChI InChI=1S/C19H19F2N3O2/c1-11(13-4-2-3-5-18(13)25)23-24-19(26)10-22-17-9-14(17)12-6-7-15(20)16(21)8-12/h2-8,14,17,22,25H,9-10H2,1H3,(H,24,26)/b23-11+/t14-,17+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451578
PNG
(CHEMBL4209901)
Show SMILES C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C19H18BrF2N3O/c1-11(12-2-5-14(20)6-3-12)24-25-19(26)10-23-18-9-15(18)13-4-7-16(21)17(22)8-13/h2-8,15,18,23H,9-10H2,1H3,(H,25,26)/b24-11+/t15-,18+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451577
PNG
(CHEMBL4203790)
Show SMILES C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H18ClF2N3O/c1-11(12-2-5-14(20)6-3-12)24-25-19(26)10-23-18-9-15(18)13-4-7-16(21)17(22)8-13/h2-8,15,18,23H,9-10H2,1H3,(H,25,26)/b24-11+/t15-,18+/m0/s1
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Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50451596
PNG
(CHEMBL4203515)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 |r|
Show InChI InChI=1S/C22H26F2N4O/c1-3-28(4-2)17-8-5-15(6-9-17)13-26-27-22(29)14-25-21-12-18(21)16-7-10-19(23)20(24)11-16/h5-11,13,18,21,25H,3-4,12,14H2,1-2H3,(H,27,29)/b26-13+/t18-,21+/m0/s1
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n/an/a 254n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM223319
PNG
(KDOAM-29)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C
Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
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TBA



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


(Homo sapiens (Human))
BDBM50451587
PNG
(CHEMBL4214864)
Show SMILES Fc1ccc(cc1F)[C@@H]1C[C@H]1NCC(=O)N\N=C\c1cccs1 |r|
Show InChI InChI=1S/C16H15F2N3OS/c17-13-4-3-10(6-14(13)18)12-7-15(12)19-9-16(22)21-20-8-11-2-1-5-23-11/h1-6,8,12,15,19H,7,9H2,(H,21,22)/b20-8+/t12-,15+/m0/s1
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n/an/a 274n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 5036-5039 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.003
BindingDB Entry DOI: 10.7270/Q2J105QD
More data for this
Ligand-Target Pair
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