Found 211 hits with Last Name = 'liu' and Initial = 'ym' 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 |
|---|
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50245492
(CHEMBL4082554)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r,c:5| Show InChI InChI=1S/C25H25N3O5S/c1-15-12-18(21-4-2-3-5-22(21)26-15)14-33-19-8-10-20(11-9-19)34(31,32)28-24-17-7-6-16(13-17)23(24)25(29)27-30/h2-12,16-17,23-24,28,30H,13-14H2,1H3,(H,27,29)/t16-,17+,23+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using pro-TNFalpha peptide Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins ... |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50236621
(CHEMBL4078142)Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 |r| Show InChI InChI=1S/C23H25N3O5S/c1-15-13-16(19-5-2-3-7-21(19)24-15)14-31-17-9-11-18(12-10-17)32(29,30)26-22-8-4-6-20(22)23(27)25-28/h2-3,5,7,9-13,20,22,26,28H,4,6,8,14H2,1H3,(H,25,27)/t20-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant TACE catalytic domain (unknown origin) using pro-TNFalpha peptide Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins ... |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50245498
(CHEMBL4083562)Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C25H26F3N9OS/c1-15(25(26,27)28)37-14-31-34-22(37)24-33-21(12-39-24)32-23(38)17-9-19(36-11-18(30-13-36)16-5-6-16)20(10-29-17)35-7-3-2-4-8-35/h9-16H,2-8H2,1H3,(H,32,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ASK1 using STK3 peptide as substrate incubated for 30 mins followed by ATP addition measured for 3 hrs by TR-FRET ass... |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50386657
(CHEMBL2048746)Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50386659
(CHEMBL2048750)Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+ | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056985
(CHEMBL3329991)Show SMILES Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C20H21N3O4S/c1-14-17(18-4-2-3-5-19(18)22-14)12-13-21-28(26,27)16-9-6-15(7-10-16)8-11-20(24)23-25/h2-11,21-22,25H,12-13H2,1H3,(H,23,24)/b11-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056984
(CHEMBL3329990)Show SMILES Cc1c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc2n1C Show InChI InChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)24(15)2)13-14-22-29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50386658
(CHEMBL2048749)Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C18H16N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-12,22H,1H3,(H,19,21)/b9-3+ | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056983
(CHEMBL3329992)Show SMILES CCn1c(C)c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C22H25N3O4S/c1-3-25-16(2)19(20-6-4-5-7-21(20)25)14-15-23-30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay |
Eur J Med Chem 162: 612-630 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.066
BindingDB Entry DOI: 10.7270/Q2057KBH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50386657
(CHEMBL2048746)Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50439674
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay |
J Med Chem 57: 4009-22 (2014)
Article DOI: 10.1021/jm401899x
BindingDB Entry DOI: 10.7270/Q28917F9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50015233
(CHEMBL3262727)Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)n1ccc2cccnc12 Show InChI InChI=1S/C16H13N3O4S/c20-15(18-21)7-6-12-3-1-5-14(11-12)24(22,23)19-10-8-13-4-2-9-17-16(13)19/h1-11,21H,(H,18,20)/b7-6+ | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay |
J Med Chem 57: 4009-22 (2014)
Article DOI: 10.1021/jm401899x
BindingDB Entry DOI: 10.7270/Q28917F9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056975
(CHEMBL3329999)Show SMILES Cn1cc(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-16(18-4-2-3-5-19(18)23)12-13-21-28(26,27)17-9-6-15(7-10-17)8-11-20(24)22-25/h2-11,14,21,25H,12-13H2,1H3,(H,22,24)/b11-8+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056974
(CHEMBL3329998)Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C19H19N3O4S/c23-19(22-24)10-7-14-5-8-16(9-6-14)27(25,26)21-12-11-15-13-20-18-4-2-1-3-17(15)18/h1-10,13,20-21,24H,11-12H2,(H,22,23)/b10-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056982
(CHEMBL3329994)Show SMILES CCN(CC)CCn1c(C)c(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C26H34N4O4S/c1-4-29(5-2)18-19-30-20(3)23(24-8-6-7-9-25(24)30)16-17-27-35(33,34)22-13-10-21(11-14-22)12-15-26(31)28-32/h6-15,27,32H,4-5,16-19H2,1-3H3,(H,28,31)/b15-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056978
(CHEMBL3330002)Show InChI InChI=1S/C21H25N3O/c1-16-19(20-6-2-3-7-21(20)24-16)12-14-22-15-18-10-8-17(9-11-18)5-4-13-23-25/h2-11,22-25H,12-15H2,1H3/b5-4+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056986
(CHEMBL3329993)Show SMILES Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C20H21N3O4S/c1-14-17(18-7-2-3-8-19(18)22-14)11-12-21-28(26,27)16-6-4-5-15(13-16)9-10-20(24)23-25/h2-10,13,21-22,25H,11-12H2,1H3,(H,23,24)/b10-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056979
(CHEMBL3329997)Show SMILES CC(C)N(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C23H27N3O4S/c1-16(2)26(15-14-20-17(3)24-22-7-5-4-6-21(20)22)31(29,30)19-11-8-18(9-12-19)10-13-23(27)25-28/h4-13,16,24,28H,14-15H2,1-3H3,(H,25,27)/b13-10+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay |
J Med Chem 57: 4009-22 (2014)
Article DOI: 10.1021/jm401899x
BindingDB Entry DOI: 10.7270/Q28917F9 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245499
(CHEMBL4085616)Show SMILES O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)-c1cccnc1 Show InChI InChI=1S/C26H21N3O4/c30-25-13-20(31-15-21-16-32-26-24(33-21)4-2-9-28-26)12-23-22-6-5-17(19-3-1-8-27-14-19)11-18(22)7-10-29(23)25/h1-6,8-9,11-14,21H,7,10,15-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245480
(CHEMBL4082477)Show SMILES NC(=O)c1cccc(c1)-c1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)cc3=O)c1 Show InChI InChI=1S/C28H23N3O5/c29-27(33)20-4-1-3-17(12-20)18-6-7-23-19(11-18)8-10-31-24(23)13-21(14-26(31)32)34-15-22-16-35-28-25(36-22)5-2-9-30-28/h1-7,9,11-14,22H,8,10,15-16H2,(H2,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245479
(CHEMBL4103552)Show SMILES O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C28H22N4O4/c33-27-13-21(34-15-22-16-35-28-26(36-22)2-1-8-29-28)12-25-23-5-3-17(10-19(23)7-9-32(25)27)18-4-6-24-20(11-18)14-30-31-24/h1-6,8,10-14,22H,7,9,15-16H2,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245482
(CHEMBL4069275)Show SMILES Cc1cc(COc2ccc-3c(CCn4c-3cc(OCC3COc5ncccc5O3)cc4=O)c2)nn1C Show InChI InChI=1S/C27H26N4O5/c1-17-10-19(29-30(17)2)14-33-20-5-6-23-18(11-20)7-9-31-24(23)12-21(13-26(31)32)34-15-22-16-35-27-25(36-22)4-3-8-28-27/h3-6,8,10-13,22H,7,9,14-16H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245491
(CHEMBL4098028)Show SMILES Cc1noc(COc2ccc-3c(CCn4c-3cc(OCC3COc5ncccc5O3)cc4=O)c2)n1 Show InChI InChI=1S/C25H22N4O6/c1-15-27-23(35-28-15)14-32-17-4-5-20-16(9-17)6-8-29-21(20)10-18(11-24(29)30)31-12-19-13-33-25-22(34-19)3-2-7-26-25/h2-5,7,9-11,19H,6,8,12-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245494
(CHEMBL4080004)Show SMILES O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)-c1cncnc1 Show InChI InChI=1S/C25H20N4O4/c30-24-10-19(31-13-20-14-32-25-23(33-20)2-1-6-28-25)9-22-21-4-3-16(18-11-26-15-27-12-18)8-17(21)5-7-29(22)24/h1-4,6,8-12,15,20H,5,7,13-14H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245481
(CHEMBL4060589)Show SMILES O=c1cc(OCC2COc3ncccc3O2)cc2-c3ccc(cc3CCn12)C#Cc1ccncn1 Show InChI InChI=1S/C27H20N4O4/c32-26-14-21(33-15-22-16-34-27-25(35-22)2-1-9-29-27)13-24-23-6-4-18(12-19(23)8-11-31(24)26)3-5-20-7-10-28-17-30-20/h1-2,4,6-7,9-10,12-14,17,22H,8,11,15-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50245516
(CHEMBL4090321)Show SMILES OCCC#Cc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)cc3=O)c1 Show InChI InChI=1S/C25H22N2O5/c28-11-2-1-4-17-6-7-21-18(12-17)8-10-27-22(21)13-19(14-24(27)29)30-15-20-16-31-25-23(32-20)5-3-9-26-25/h3,5-7,9,12-14,20,28H,2,8,10-11,15-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50386657
(CHEMBL2048746)Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50386659
(CHEMBL2048750)Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+ | 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 | 18.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50386661
(CHEMBL2048752)Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+ | 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 | 18.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay |
Eur J Med Chem 162: 612-630 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.066
BindingDB Entry DOI: 10.7270/Q2057KBH |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC3 using RHKKAc as substrate by fluorescence assay |
Eur J Med Chem 162: 612-630 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.066
BindingDB Entry DOI: 10.7270/Q2057KBH |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50245493
(CHEMBL4092255)Show SMILES COc1ccc2c(O[C@@H]3C[C@@H](N(C[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C3)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NC3CC3)nccc2c1 |r| Show InChI InChI=1S/C36H52N6O6/c1-35(2,3)29(40-34(46)41-36(4,5)6)20-42-19-25(48-33-26-13-12-24(47-7)17-22(26)14-15-37-33)18-28(42)31(44)39-27(16-21-8-9-21)30(43)32(45)38-23-10-11-23/h12-15,17,21,23,25,27-29H,8-11,16,18-20H2,1-7H3,(H,38,45)(H,39,44)(H2,40,41,46)/t25-,27+,28-,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B using Boc-Leu-Arg-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 3... |
J Med Chem 60: 527-553 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00935
BindingDB Entry DOI: 10.7270/Q29C70V2 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056980
(CHEMBL3329996)Show SMILES CCN(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O4S/c1-3-25(15-14-19-16(2)23-21-7-5-4-6-20(19)21)30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50386660
(CHEMBL2048751)Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+ | 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 | 33.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence assay |
Eur J Med Chem 162: 612-630 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.066
BindingDB Entry DOI: 10.7270/Q2057KBH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50386662
(CHEMBL2048755)Show InChI InChI=1S/C18H16N2O2/c21-18(19-22)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,19,21)/b9-7+ | 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 | 40.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056976
(CHEMBL3330000)Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C20H19N3O4S/c24-20(22-25)10-7-14-5-8-15(9-6-14)28(26,27)23-12-11-17-16-3-1-2-4-18(16)21-19(17)13-23/h1-10,21,25H,11-13H2,(H,22,24)/b10-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50386659
(CHEMBL2048750)Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+ | 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 | 45.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50056981
(CHEMBL3329995)Show SMILES CN(CCc1c(C)[nH]c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)22-15)13-14-24(2)29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay |
Eur J Med Chem 85: 468-79 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.020
BindingDB Entry DOI: 10.7270/Q2NK3GQQ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50439674
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay |
J Med Chem 57: 4009-22 (2014)
Article DOI: 10.1021/jm401899x
BindingDB Entry DOI: 10.7270/Q28917F9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50439674
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay |
J Med Chem 57: 4009-22 (2014)
Article DOI: 10.1021/jm401899x
BindingDB Entry DOI: 10.7270/Q28917F9 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50386660
(CHEMBL2048751)Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+ | 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 | 59.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50386661
(CHEMBL2048752)Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+ | 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 | 69.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay |
J Med Chem 55: 3777-91 (2012)
Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7 |
More data for this
Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC10 using RHKKAc as substrate by fluorescence assay |
Eur J Med Chem 162: 612-630 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.066
BindingDB Entry DOI: 10.7270/Q2057KBH |
More data for this
Ligand-Target Pair | |
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