Found 75 hits of ic50 for UniProtKB: Q8NB78 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603918
(CHEMBL5206450 | US11873292, Compound A21)Show SMILES CC1(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603921
(CHEMBL5191047 | US11873292, Compound A33)Show SMILES O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc2ccccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603920
(CHEMBL5205837 | US11873292, Compound A32)Show SMILES O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc(cc1)-c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603922
(CHEMBL5181753 | US11873292, Compound A38)Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603924
(CHEMBL5196564 | US11873292, Compound A35)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50278484
(CHEMBL4170687)Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2NCC1CCNCC1 |r| Show InChI InChI=1S/C16H22N2.ClH/c1-2-4-13-12(3-1)9-14-15(13)16(14)18-10-11-5-7-17-8-6-11;/h1-4,11,14-18H,5-10H2;1H/t14-,15+,16-;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human full length LSD2 using biotin-labeled H3K4me2 (1 to 24 residues) as substrate after 1 hr by TR-FRET assay |
Eur J Med Chem 141: 101-112 (2017)
Article DOI: 10.1016/j.ejmech.2017.09.073
BindingDB Entry DOI: 10.7270/Q2474DCP |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603908
(CHEMBL5177857)Show SMILES N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50568530
(CHEMBL4857247) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD2 using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603928
(CHEMBL5194745 | US11873292, Compound A43)Show SMILES O=S(=O)(C1CCCCC1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603932
(CHEMBL5184995 | US11873292, Compound A55) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603916
(CHEMBL5170567 | US11873292, Compound A20)Show SMILES O=S(=O)(N1CCc2cc(ccc12)C1CC1NC1CC2(C1)CCNCC2)c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603930
(CHEMBL5174650 | US11873292, Compound A54) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603923
(CHEMBL5172252 | US11873292, Compound A39)Show SMILES COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603934
(CHEMBL5204790 | US11873292, Compound A49)Show SMILES O=C(Cc1ccccc1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603927
(CHEMBL5191876 | US11873292, Compound A42)Show SMILES FC(F)(F)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155772
(CHEMBL3780774)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCCCC3)c(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C29H32N4O3.ClH/c30-25-18-24(25)21-9-12-23(13-10-21)31-28(34)22-11-14-27(33-15-5-2-6-16-33)26(17-22)32-29(35)36-19-20-7-3-1-4-8-20;/h1,3-4,7-14,17,24-25H,2,5-6,15-16,18-19,30H2,(H,31,34)(H,32,35);1H/t24-,25+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155771
(CHEMBL3781560)Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1NC(=O)OCc1ccccc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C29H33N5O3.2ClH/c1-33-13-15-34(16-14-33)27-12-9-22(17-26(27)32-29(36)37-19-20-5-3-2-4-6-20)28(35)31-23-10-7-21(8-11-23)24-18-25(24)30;;/h2-12,17,24-25H,13-16,18-19,30H2,1H3,(H,31,35)(H,32,36);2*1H/t24-,25+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50278459
(CHEMBL4176756)Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@@H]1CC[C@H](N)CC1 |r,wD:10.11,2.0,15.16,18.20,12.14,(41.3,-22.41,;36.24,-22.94,;34.76,-22.56,;33.86,-23.81,;32.39,-23.33,;31.06,-24.11,;29.72,-23.34,;29.72,-21.79,;31.05,-21.03,;32.39,-21.79,;33.86,-21.31,;33.84,-19.76,;35.39,-21.15,;36.03,-19.77,;36.92,-21.01,;37.69,-22.33,;39.22,-22.33,;39.99,-23.66,;39.22,-24.99,;39.99,-26.32,;37.69,-24.99,;36.92,-23.67,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12+,14-,15+,16-;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Inhibition of human full length LSD2 using biotin-labeled H3K4me2 (1 to 24 residues) as substrate after 1 hr by TR-FRET assay |
Eur J Med Chem 141: 101-112 (2017)
Article DOI: 10.1016/j.ejmech.2017.09.073
BindingDB Entry DOI: 10.7270/Q2474DCP |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603929
(CHEMBL5201504 | US11873292, Compound A45)Show SMILES O=C(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603911
(CHEMBL5170011 | US11873292, Compound A14)Show SMILES O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603933
(CHEMBL5208082 | US11873292, Compound A58)Show SMILES CC(C)(C)C(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155769
(CHEMBL3780542)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C28H30N4O4.ClH/c29-24-17-23(24)20-6-9-22(10-7-20)30-27(33)21-8-11-26(32-12-14-35-15-13-32)25(16-21)31-28(34)36-18-19-4-2-1-3-5-19;/h1-11,16,23-24H,12-15,17-18,29H2,(H,30,33)(H,31,34);1H/t23-,24+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603919
(CHEMBL5175125 | US11873292, Compound A24)Show SMILES O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCN(Cc2ccccc2)CC1)c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50278411
(CHEMBL4170367)Show SMILES Cl.[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@H]1CC[C@H](N)CC1 |r,wU:18.20,wD:10.11,2.0,15.16,12.14,(38.29,-9.18,;30.02,-9.7,;28.54,-9.31,;27.64,-10.57,;26.17,-10.09,;24.84,-10.87,;23.5,-10.1,;23.5,-8.55,;24.83,-7.78,;26.17,-8.54,;27.63,-8.06,;27.62,-6.52,;29.16,-7.91,;30.49,-8.67,;30.41,-7,;31.75,-7.74,;31.78,-9.28,;33.11,-10.02,;34.43,-9.23,;35.77,-9.98,;34.4,-7.7,;33.06,-6.95,)| Show InChI InChI=1S/C16H22N2.ClH/c17-11-5-7-12(8-6-11)18-16-14-9-10-3-1-2-4-13(10)15(14)16;/h1-4,11-12,14-16,18H,5-9,17H2;1H/t11-,12-,14-,15+,16-;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M2 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig left atria |
Eur J Med Chem 141: 101-112 (2017)
Article DOI: 10.1016/j.ejmech.2017.09.073
BindingDB Entry DOI: 10.7270/Q2474DCP |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50568528
(CHEMBL4872682) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD2 using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603917
(CHEMBL5197243 | US11873292, Compound A17)Show SMILES O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CNC1)c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50151583
(CHEMBL3774920)Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O Show InChI InChI=1S/C149H267N69O37/c1-75(2)67-95(207-123(240)91(39-21-63-192-178)203-130(247)101(73-220)212-124(241)90(37-19-61-190-148(174)175)196-114(231)81-28-10-51-179-81)128(245)215-110(76(3)4)135(252)204-92(38-20-62-191-149(176)177)122(239)205-93(26-5-7-49-150)136(253)217-65-23-42-105(217)134(251)214-102(74-221)131(248)211-99(71-109(226)227)138(255)218-66-24-41-104(218)133(250)209-97(69-107(153)224)126(243)202-89(36-18-60-189-147(172)173)121(238)206-94(137(254)216-64-22-40-103(216)132(249)210-98(70-108(154)225)127(244)208-96(68-77-43-45-78(222)46-44-77)125(242)213-100(72-219)129(246)193-80(111(155)228)47-48-106(152)223)27-6-8-50-180-113(230)82(29-11-53-182-140(158)159)195-116(233)84(31-13-55-184-142(162)163)198-118(235)86(33-15-57-186-144(166)167)200-120(237)88(35-17-59-188-146(170)171)201-119(236)87(34-16-58-187-145(168)169)199-117(234)85(32-14-56-185-143(164)165)197-115(232)83(30-12-54-183-141(160)161)194-112(229)79(151)25-9-52-181-139(156)157/h43-46,75-76,79-105,110,179,192,219-222H,5-42,47-74,150-151,178H2,1-4H3,(H2,152,223)(H2,153,224)(H2,154,225)(H2,155,228)(H,180,230)(H,193,246)(H,194,229)(H,195,233)(H,196,231)(H,197,232)(H,198,235)(H,199,234)(H,200,237)(H,201,236)(H,202,243)(H,203,247)(H,204,252)(H,205,239)(H,206,238)(H,207,240)(H,208,244)(H,209,250)(H,210,249)(H,211,248)(H,212,241)(H,213,242)(H,214,251)(H,215,245)(H,226,227)(H4,156,157,181)(H4,158,159,182)(H4,160,161,183)(H4,162,163,184)(H4,164,165,185)(H4,166,167,186)(H4,168,169,187)(H4,170,171,188)(H4,172,173,189)(H4,174,175,190)(H4,176,177,191)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88?,89-,90-,91?,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102-,103-,104-,105-,110-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Prefectural University of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminal His-tagged human LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su... |
J Med Chem 59: 1531-44 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603907
(CHEMBL5171190)Show SMILES N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603915
(CHEMBL5191605 | US11873292, Compound A16)Show SMILES O=S(=O)(N1CCc2cc(ccc12)C1CC1NCCC1CCNCC1)c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603925
(CHEMBL5183291) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155764
(CHEMBL3780674)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C24H23N3O3.ClH/c25-22-14-21(22)17-9-11-19(12-10-17)26-23(28)18-7-4-8-20(13-18)27-24(29)30-15-16-5-2-1-3-6-16;/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29);1H/t21-,22+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155766
(CHEMBL3780374)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(c2)N2CCOC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-4-6-14(7-5-12)21-18(23)13-2-1-3-15(10-13)22-8-9-25-19(22)24;/h1-7,10,16-17H,8-9,11,20H2,(H,21,23);1H/t16-,17+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50236444
(CHEMBL4090812)Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155773
(CHEMBL3781751 | US9469597, 5)Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50151585
(CHEMBL3774476)Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O Show InChI InChI=1S/C149H267N69O37/c1-75(2)67-95(207-123(240)91(39-21-63-192-178)203-130(247)101(73-220)212-124(241)90(37-19-61-190-148(174)175)196-114(231)81-28-10-51-179-81)128(245)215-110(76(3)4)135(252)204-92(38-20-62-191-149(176)177)122(239)206-94(27-6-8-50-180-113(230)82(29-11-53-182-140(158)159)195-116(233)84(31-13-55-184-142(162)163)198-118(235)86(33-15-57-186-144(166)167)200-120(237)88(35-17-59-188-146(170)171)201-119(236)87(34-16-58-187-145(168)169)199-117(234)85(32-14-56-185-143(164)165)197-115(232)83(30-12-54-183-141(160)161)194-112(229)79(151)25-9-52-181-139(156)157)137(254)217-65-23-42-105(217)134(251)214-102(74-221)131(248)211-99(71-109(226)227)138(255)218-66-24-41-104(218)133(250)209-97(69-107(153)224)126(243)202-89(36-18-60-189-147(172)173)121(238)205-93(26-5-7-49-150)136(253)216-64-22-40-103(216)132(249)210-98(70-108(154)225)127(244)208-96(68-77-43-45-78(222)46-44-77)125(242)213-100(72-219)129(246)193-80(111(155)228)47-48-106(152)223/h43-46,75-76,79-105,110,179,192,219-222H,5-42,47-74,150-151,178H2,1-4H3,(H2,152,223)(H2,153,224)(H2,154,225)(H2,155,228)(H,180,230)(H,193,246)(H,194,229)(H,195,233)(H,196,231)(H,197,232)(H,198,235)(H,199,234)(H,200,237)(H,201,236)(H,202,243)(H,203,247)(H,204,252)(H,205,238)(H,206,239)(H,207,240)(H,208,244)(H,209,250)(H,210,249)(H,211,248)(H,212,241)(H,213,242)(H,214,251)(H,215,245)(H,226,227)(H4,156,157,181)(H4,158,159,182)(H4,160,161,183)(H4,162,163,184)(H4,164,165,185)(H4,166,167,186)(H4,168,169,187)(H4,170,171,188)(H4,172,173,189)(H4,174,175,190)(H4,176,177,191)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100?,101-,102-,103-,104-,105-,110-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Prefectural University of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminal His-tagged human LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su... |
J Med Chem 59: 1531-44 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155770
(CHEMBL3781885)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C28H30N4O4.ClH/c29-24-17-23(24)20-6-9-22(10-7-20)30-27(33)21-8-11-25(26(16-21)32-12-14-35-15-13-32)31-28(34)36-18-19-4-2-1-3-5-19;/h1-11,16,23-24H,12-15,17-18,29H2,(H,30,33)(H,31,34);1H/t23-,24+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603931
(CHEMBL5196436 | US11873292, Compound A53) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50236441
(CHEMBL4072541)Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C28H31N3O4S/c1-31-25-11-13-36-27(25)14-26(31)28(32)30-24-5-3-4-20(17-33-2)23(24)18-35-22-8-6-21(7-9-22)34-16-19-10-12-29-15-19/h3-9,11,13-14,19,29H,10,12,15-18H2,1-2H3,(H,30,32)/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50236447
(CHEMBL4069817)Show SMILES CCn1c(cc2sccc12)C(=O)Nc1cccc(COC)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1 | PDB
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| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 60: 1693-1715 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50603926
(CHEMBL5174599 | US11873292, Compound A40) | PDB
Reactome pathway
KEGG
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| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50151584
(CHEMBL3775613)Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O Show InChI InChI=1S/C155H278N70O40/c1-80(2)71-100(214-129(248)96(39-21-63-199-184)210-136(255)106(77-227)219-130(249)95(37-19-61-197-154(180)181)203-120(239)86-28-10-51-185-86)134(253)222-116(81(3)4)141(260)211-97(38-20-62-198-155(182)183)128(247)213-99(27-6-8-50-186-114(233)79-265-70-69-264-68-64-187-119(238)87(29-11-53-189-146(164)165)202-122(241)89(31-13-55-191-148(168)169)205-124(243)91(33-15-57-193-150(172)173)207-126(245)93(35-17-59-195-152(176)177)208-125(244)92(34-16-58-194-151(174)175)206-123(242)90(32-14-56-192-149(170)171)204-121(240)88(30-12-54-190-147(166)167)201-118(237)84(157)25-9-52-188-145(162)163)143(262)224-66-23-42-110(224)140(259)221-107(78-228)137(256)218-104(75-115(234)235)144(263)225-67-24-41-109(225)139(258)216-102(73-112(159)231)132(251)209-94(36-18-60-196-153(178)179)127(246)212-98(26-5-7-49-156)142(261)223-65-22-40-108(223)138(257)217-103(74-113(160)232)133(252)215-101(72-82-43-45-83(229)46-44-82)131(250)220-105(76-226)135(254)200-85(117(161)236)47-48-111(158)230/h43-46,80-81,84-110,116,185,199,226-229H,5-42,47-79,156-157,184H2,1-4H3,(H2,158,230)(H2,159,231)(H2,160,232)(H2,161,236)(H,186,233)(H,187,238)(H,200,254)(H,201,237)(H,202,241)(H,203,239)(H,204,240)(H,205,243)(H,206,242)(H,207,245)(H,208,244)(H,209,251)(H,210,255)(H,211,260)(H,212,246)(H,213,247)(H,214,248)(H,215,252)(H,216,258)(H,217,257)(H,218,256)(H,219,249)(H,220,250)(H,221,259)(H,222,253)(H,234,235)(H4,162,163,188)(H4,164,165,189)(H4,166,167,190)(H4,168,169,191)(H4,170,171,192)(H4,172,173,193)(H4,174,175,194)(H4,176,177,195)(H4,178,179,196)(H4,180,181,197)(H4,182,183,198)/t84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105?,106-,107-,108-,109-,110-,116-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 2.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Prefectural University of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminal His-tagged human LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su... |
J Med Chem 59: 1531-44 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50445336
(CHEMBL1797639)Show SMILES NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r| Show InChI InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23?,24?,25-/m0/s1 | PDB
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KEGG
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| CHEMBL
MCE
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PC sid
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| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD2 using H3K4 peptide as substrate assessed as decrease in H3K4 demethylation after 1 hr by mass spectroscopic anal... |
Bioorg Med Chem Lett 26: 1193-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155768
(CHEMBL3781494)Show SMILES Cl.CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C22H27N3O.ClH/c1-25-12-10-16(11-13-25)15-2-4-18(5-3-15)22(26)24-19-8-6-17(7-9-19)20-14-21(20)23;/h2-9,16,20-21H,10-14,23H2,1H3,(H,24,26);1H/t20-,21+;/m0./s1 | PDB
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| n/a | n/a | 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50240772
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1 | PDB
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MMDB
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| n/a | n/a | 3.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhengzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LSD2 (22 to 822 aa) (unknown origin) expressed in Escherichia coli BL21(DE) by fluorescence assay |
J Med Chem 56: 8543-60 (2013)
Article DOI: 10.1021/jm401002r
BindingDB Entry DOI: 10.7270/Q2XD1333 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155580
(CHEMBL3781125)Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1 | PDB
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| n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50441978
(CHEMBL2334501)Show SMILES Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1 Show InChI InChI=1S/C21H29N5O2S2/c1-16-5-7-17(8-6-16)13-26-14-18(22-23-26)15-30-20(29)25-11-9-24(10-12-25)19(27)28-21(2,3)4/h5-8,14H,9-13,15H2,1-4H3 | PDB
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| n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhengzhou University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LSD2 (22 to 822 aa) (unknown origin) expressed in Escherichia coli BL21(DE) by fluorescence assay |
J Med Chem 56: 8543-60 (2013)
Article DOI: 10.1021/jm401002r
BindingDB Entry DOI: 10.7270/Q2XD1333 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155580
(CHEMBL3781125)Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1 | PDB
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| n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM254603
(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 | PDB
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MCE
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PubMed
| n/a | n/a | 4.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 60: 1673-1692 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01018
BindingDB Entry DOI: 10.7270/Q26112KN |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155773
(CHEMBL3781751 | US9469597, 5)Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)| 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 | PDB
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CHEMBL
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| n/a | n/a | 4.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50155581
(CHEMBL3781124)Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m1../s1 | PDB
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CHEMBL
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PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of KDM1B (unknown origin) |
J Med Chem 59: 1501-17 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767 |
More data for this
Ligand-Target Pair | |
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