Found 119 hits with Last Name = 'thomas' and Initial = 'ns' 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 |
|---|
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113971
(CHEMBL3605506)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113963
(CHEMBL3605502)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](O2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437809
(CHEMBL2407717)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437812
(CHEMBL2407723)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437821
(CHEMBL2407736)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(c(O)[nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H21N5O2/c24-18-8-4-5-9-19(18)26-21(29)17-12-10-15(11-13-17)14-25-23-27-20(22(30)28-23)16-6-2-1-3-7-16/h1-13,30H,14,24H2,(H,26,29)(H2,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113960
(CHEMBL3605415)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437816
(CHEMBL2407719)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccc(O)cc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4O2S/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113964
(CHEMBL3605508)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113969
(CHEMBL3605499)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccc(O)cc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O3/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113954
(CHEMBL3605507)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo... |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437813
(CHEMBL2407722)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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 |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113967
(CHEMBL3605497)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2cccc(F)c2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-5-3-4-17(12-18)21-14-30-23(28-21)26-13-15-8-10-16(11-9-15)22(29)27-20-7-2-1-6-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437822
(CHEMBL2407735)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3ccccc3)[nH]2)cc1 Show InChI InChI=1S/C24H23N5O2/c25-19-8-4-5-9-20(19)27-22(30)18-12-10-17(11-13-18)15-26-24-28-21(23(31)29-24)14-16-6-2-1-3-7-16/h1-13,31H,14-15,25H2,(H,27,30)(H2,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437827
(CHEMBL2407730)Show InChI InChI=1S/C17H15N5O2/c23-16(22-24)13-5-3-12(4-6-13)10-20-17-19-9-7-15(21-17)14-2-1-8-18-11-14/h1-9,11,24H,10H2,(H,22,23)(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113972
(CHEMBL3605500)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17| Show InChI InChI=1S/C22H21N5O2/c23-18-5-1-2-6-19(18)26-21(28)16-9-7-15(8-10-16)12-25-22-27-20(14-29-22)17-4-3-11-24-13-17/h1-11,13,20H,12,14,23H2,(H,25,27)(H,26,28)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113962
(CHEMBL3605495)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](CO2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113966
(CHEMBL3605496)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
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 |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113968
(CHEMBL3605498)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(cc2)C(F)(F)F)cc1 |t:17| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)18-11-9-16(10-12-18)21-14-33-23(31-21)29-13-15-5-7-17(8-6-15)22(32)30-20-4-2-1-3-19(20)28/h1-12,21H,13-14,28H2,(H,29,31)(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
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 |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113953
(CHEMBL3605503)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](O2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437814
(CHEMBL2407721)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113959
(CHEMBL3605416)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)15-29-23-25-14-21(27-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113965
(CHEMBL3605494)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437826
(CHEMBL2407731)Show SMILES CC(C)(C)OC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N6O4/c1-31(2,3)41-30(40)37-26(16-21-18-33-24-10-6-4-8-22(21)24)28(39)36-29(37)34-17-19-12-14-20(15-13-19)27(38)35-25-11-7-5-9-23(25)32/h4-15,18,33,39H,16-17,32H2,1-3H3,(H,34,36)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113958
(CHEMBL3605501)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C24H24N4O2/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437815
(CHEMBL2407720)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113970
(CHEMBL3605504)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17| Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113957
(CHEMBL3605492)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17| Show InChI InChI=1S/C22H20N4O2S/c23-18-5-1-2-6-19(18)25-21(27)16-9-7-15(8-10-16)14-29-22-26-20(13-28-22)17-4-3-11-24-12-17/h1-12,20H,13-14,23H2,(H,25,27)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437818
(CHEMBL2407716)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CS2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113956
(CHEMBL3605417)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H21N3O2S/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)15-29-23-26-21(14-28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437825
(CHEMBL2407732)Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H26N6O3/c1-17(35)34-25(14-20-16-30-23-8-4-2-6-21(20)23)27(37)33-28(34)31-15-18-10-12-19(13-11-18)26(36)32-24-9-5-3-7-22(24)29/h2-13,16,30,37H,14-15,29H2,1H3,(H,31,33)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113955
(CHEMBL3605493)Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C24H23N3O2S/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)16-30-24-26-20(15-29-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50113963
(CHEMBL3605502)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](O2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50113954
(CHEMBL3605507)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/m0/s1 | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437817
(CHEMBL2407718)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50113971
(CHEMBL3605506)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/m1/s1 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437809
(CHEMBL2407717)Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50113962
(CHEMBL3605495)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](CO2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m0/s1 | 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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437823
(CHEMBL2407734)Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1ccccc1 Show InChI InChI=1S/C26H25N5O3/c1-17(32)31-23(15-18-7-3-2-4-8-18)25(34)30-26(31)28-16-19-11-13-20(14-12-19)24(33)29-22-10-6-5-9-21(22)27/h2-14,34H,15-16,27H2,1H3,(H,28,30)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50113953
(CHEMBL3605503)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](O2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo... |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437824
(CHEMBL2407733)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3c[nH]c4ccccc34)[nH]2)cc1 Show InChI InChI=1S/C26H24N6O2/c27-20-6-2-4-8-22(20)30-24(33)17-11-9-16(10-12-17)14-29-26-31-23(25(34)32-26)13-18-15-28-21-7-3-1-5-19(18)21/h1-12,15,28,34H,13-14,27H2,(H,30,33)(H2,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50113971
(CHEMBL3605506)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/m1/s1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo... |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Nuclear receptor corepressor 1
(Homo sapiens (Human)) | BDBM50437833
(CHEMBL2407742)Show SMILES COc1ccc(NC(=O)c2ccc(CNc3nccc(n3)-c3cccnc3)cc2)c(N)c1 Show InChI InChI=1S/C24H22N6O2/c1-32-19-8-9-22(20(25)13-19)29-23(31)17-6-4-16(5-7-17)14-28-24-27-12-10-21(30-24)18-3-2-11-26-15-18/h2-13,15H,14,25H2,1H3,(H,29,31)(H,27,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ... |
J Med Chem 56: 6156-74 (2013)
Article DOI: 10.1021/jm400634n
BindingDB Entry DOI: 10.7270/Q2N87C65 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50113961
(CHEMBL3605505)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50113958
(CHEMBL3605501)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C24H24N4O2/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo... |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50113964
(CHEMBL3605508)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17| Show InChI InChI=1S/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50113966
(CHEMBL3605496)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo... |
J Med Chem 58: 6803-18 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00545
BindingDB Entry DOI: 10.7270/Q26T0PFV |
More data for this
Ligand-Target Pair | |
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