Found 357 hits with Last Name = 'thaler' and Initial = 'f' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236453
(CHEMBL4068323)Show SMILES CN1CCC(CC1)Oc1ccc(OCc2ccccc2NC(=O)c2cc3sccc3n2C)cc1 Show InChI InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibitory activity against beta-glucosidase of sweet almond |
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 | 
3D Structure (crystal) |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236360
(CHEMBL4066708)Show InChI InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19) | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated fo... |
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 |
3D Structure (crystal) |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236359
(CHEMBL4086085)Show InChI InChI=1S/C17H24N2O/c1-14(20)16-4-2-15(3-5-16)12-19-11-8-17(13-19)6-9-18-10-7-17/h2-5,18H,6-13H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15... |
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 1A/REST corepressor 1
(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
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
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 1A/REST corepressor 1
(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
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 2... |
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 | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50141381
(CHEMBL3758184)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(CCc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(12-4-13-26(17-24)14-11-18-5-2-1-3-6-18)30-22-9-7-19(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
REST corepressor 1 [4-485]
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ... |
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 1A/REST corepressor 1
(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
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
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 |
3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50023732
(CHEMBL3330339)Show SMILES OC(=O)C(F)(F)F.C[C@]1(N)C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C10H13N.C2HF3O2/c1-10(11)7-9(10)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9H,7,11H2,1H3;(H,6,7)/t9-,10+;/m1./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay |
Eur J Med Chem 86: 352-63 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(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
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
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 |
3D Structure (crystal) |
Lysine-specific histone demethylase 1A/REST corepressor 1
(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
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
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 | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50361444
(CHEMBL1938433)Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
DAC SRL
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay |
J Med Chem 54: 3051-64 (2011)
Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50023746
(CHEMBL3330328)Show InChI InChI=1S/C10H13N/c1-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-,10+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay |
Eur J Med Chem 86: 352-63 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481203
(CHEMBL569327)Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481193
(CHEMBL569731)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-9-5-17(6-10-20)21(27)11-7-18-3-2-4-19(23-18)8-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-7+,12-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481189
(CHEMBL569546)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-5-9-22(10-6-21)23(28)11-7-19-3-2-4-20(17-19)8-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-7+,12-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236456
(CHEMBL4081995)Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC[C@@H]2CCNC2)cc1 |r| Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
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 |
3D Structure (crystal) |
REST corepressor 1 [4-485]
(Homo sapiens (Human)) | BDBM50155579
(CHEMBL3546846)Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ... |
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 | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481200
(CHEMBL569715)Show InChI InChI=1S/C17H14N2O3/c20-16(13-5-2-1-3-6-13)11-9-14-7-4-8-15(18-14)10-12-17(21)19-22/h1-12,22H,(H,19,21)/b11-9+,12-10+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481188
(CHEMBL571993)Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-12-14-26(15-13-25)21-7-3-6-20(17-21)22(27)10-8-18-4-2-5-19(16-18)9-11-23(28)24-29/h2-11,16-17,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50023741
(CHEMBL3330334)Show InChI InChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay |
Eur J Med Chem 86: 352-63 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.068
BindingDB Entry DOI: 10.7270/Q2ZG6TT3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481187
(CHEMBL578393)Show InChI InChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)10-7-13-6-8-15(18-12-13)9-11-17(21)19-22/h1-12,22H,(H,19,21)/b10-7+,11-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236457
(CHEMBL4074211)Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OCC2CCNC2)cc1 Show InChI InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30) | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
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 |
3D Structure (crystal) |
REST corepressor 1 [4-485]
(Homo sapiens (Human)) | BDBM50155763
(CHEMBL3780391)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1 |r| Show InChI InChI=1S/C20H18N2O2.ClH/c21-19-11-18(19)14-5-7-17(8-6-14)22-20(23)15-3-1-13(2-4-15)16-9-10-24-12-16;/h1-10,12,18-19H,11,21H2,(H,22,23);1H/t18-,19+;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ... |
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 | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481186
(CHEMBL569959)Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-12-14-27(15-13-26)18-21-6-3-7-22(17-21)23(28)10-8-19-4-2-5-20(16-19)9-11-24(29)25-30/h2-11,16-17,30H,12-15,18H2,1H3,(H,25,29)/b10-8+,11-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay |
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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50361444
(CHEMBL1938433)Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25.7 | n/a | n/a | n/a | n/a | n/a | n/a |
DAC SRL
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay |
J Med Chem 54: 3051-64 (2011)
Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50141111
(CHEMBL3758901)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481199
(CHEMBL570214)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-2-6-20(7-3-19)22(28)10-5-18-4-8-21(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-5+,11-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481185
(CHEMBL583545)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-13-15-26(16-14-25)21-9-7-20(8-10-21)22(27)11-5-18-3-2-4-19(17-18)6-12-23(28)24-29/h2-12,17,29H,13-16H2,1H3,(H,24,28)/b11-5+,12-6+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50141185
(CHEMBL3759550)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(CCc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(11-13-25(16-23)12-10-17-4-2-1-3-5-17)29-21-8-6-18(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)/b9-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
REST corepressor 1 [4-485]
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ... |
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 | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50141111
(CHEMBL3758901)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 (unknown origin) |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A/REST corepressor 1
(Homo sapiens (Human)) | BDBM50236451
(CHEMBL4080514)Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCCNCC2)cc1 Show InChI InChI=1S/C29H33N3O4S/c1-32-26-13-16-37-28(26)17-27(32)29(33)31-25-7-3-5-20(18-34-2)24(25)19-35-21-8-10-23(11-9-21)36-22-6-4-14-30-15-12-22/h3,5,7-11,13,16-17,22,30H,4,6,12,14-15,18-19H2,1-2H3,(H,31,33) | PDB
MMDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as sub... |
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 | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481184
(CHEMBL571103)Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1ccc(\C=C\C(=O)NO)nc1 Show InChI InChI=1S/C22H24N4O3/c1-25-11-13-26(14-12-25)20-4-2-3-18(15-20)21(27)9-6-17-5-7-19(23-16-17)8-10-22(28)24-29/h2-10,15-16,29H,11-14H2,1H3,(H,24,28)/b9-6+,10-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50155767
(CHEMBL3780524)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay |
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 | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50141139
(CHEMBL3759808)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3 Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 (unknown origin) |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50155579
(CHEMBL3546846)Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay |
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 | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481192
(CHEMBL571104)Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-7-2-4-17(16-20)21(27)10-8-18-5-3-6-19(23-18)9-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481198
(CHEMBL577513)Show SMILES CN1CCN(CC1)c1ccccc1C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-8-3-2-7-19(20)21(27)11-9-17-5-4-6-18(23-17)10-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-9+,12-10+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
REST corepressor 1 [4-485]
(Homo sapiens (Human)) | BDBM50155767
(CHEMBL3780524)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ... |
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 | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50141361
(CHEMBL3758716)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccc(F)cc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C23H23FN2O4/c24-18-6-2-17(3-7-18)14-26-11-1-10-23(15-26)13-20(27)19-12-16(4-8-21(19)30-23)5-9-22(28)25-29/h2-9,12,29H,1,10-11,13-15H2,(H,25,28)/b9-5+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50155763
(CHEMBL3780391)Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1 |r| Show InChI InChI=1S/C20H18N2O2.ClH/c21-19-11-18(19)14-5-7-17(8-6-14)22-20(23)15-3-1-13(2-4-15)16-9-10-24-12-16;/h1-10,12,18-19H,11,21H2,(H,22,23);1H/t18-,19+;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay |
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 | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481183
(CHEMBL568872)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)n2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-13-15-27(16-14-26)17-18-5-7-19(8-6-18)22(28)11-9-20-3-2-4-21(24-20)10-12-23(29)25-30/h2-12,30H,13-17H2,1H3,(H,25,29)/b11-9+,12-10+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
REST corepressor 1 [4-485]
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ... |
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 | |
REST corepressor 1 [4-485]
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ... |
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 | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50141111
(CHEMBL3758901)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50141111
(CHEMBL3758901)Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis |
Eur J Med Chem 108: 53-67 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50481182
(CHEMBL569748)Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-11-13-27(14-12-26)17-19-3-2-4-20(15-19)22(28)9-6-18-5-7-21(24-16-18)8-10-23(29)25-30/h2-10,15-16,30H,11-14,17H2,1H3,(H,25,29)/b9-6+,10-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Congenia s.r.l.
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC extracted from human HeLa cells |
J Med Chem 53: 822-39 (2010)
Article DOI: 10.1021/jm901502p
BindingDB Entry DOI: 10.7270/Q2CR5X5X |
More data for this
Ligand-Target Pair | |
Search and Browse
