Found 87 hits of Enzyme Inhibition Constant Data 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 | |
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 | |
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 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 | |
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)) | 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)) | 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)) | 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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
Histone deacetylase 2
(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 | 160 | 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 2
(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 | 180 | 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 2
(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 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 | 180 | 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 2
(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 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 | 180 | 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)) | 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 | 190 | 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)) | 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 | 192 | 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)) | 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 | 200 | 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)) | 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 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 | 230 | 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 2
(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 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 | 240 | 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)) | 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 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 | 240 | 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)) | 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 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 | 240 | 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)) | 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 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 | 250 | 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)) | 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 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 | 260 | 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)) | 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 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 | 270 | 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 2
(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 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 | 280 | 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 2
(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 | 290 | 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)) | 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 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 | 290 | 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)) | 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 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 | 340 | 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 2
(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 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 | 360 | 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)) | 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 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 | 380 | 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)) | 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 | 390 | 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)) | 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 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 | 400 | 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 2
(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 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 | 430 | 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)) | 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 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 | 530 | 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)) | 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 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 | 610 | 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)) | 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 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 | 700 | 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)) | 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 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 | 1.20E+3 | 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 8
(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 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 | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 2.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 2.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 5.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 5.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 8.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 8.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 8.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 5
(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 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC5 (unknown origin) |
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 4
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 (unknown origin) |
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 | |
Polyamine deacetylase HDAC10
(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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC10 (unknown origin) |
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 7
(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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC7 (unknown origin) |
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 11
(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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC11 (unknown origin) |
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 9
(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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of HDAC9 (unknown origin) |
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 6
(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 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC6 (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 8
(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 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 | 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 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 | 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 1.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 1.73E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 8
(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 | 1.79E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... |
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 | |