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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50388925   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50388925
PNG
(CHEMBL2063396)
Show SMILES CCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(CN(C)C)c3ccccc23)NC1=O
Show InChI InChI=1S/C29H44N6O4/c1-7-10-23-28(38)33-24(14-20-16-35(17-34(5)6)25-12-9-8-11-22(20)25)29(39)31-21(13-18(2)3)15-26(36)30-19(4)27(37)32-23/h8-9,11-12,16,18-19,21,23-24H,7,10,13-15,17H2,1-6H3,(H,30,36)(H,31,39)(H,32,37)(H,33,38)/t19-,21-,23-,24-/m0/s1
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Article
PubMed
33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC2 using Ac-Lys(Ac)-AMC as substrate by Lineweaver-Burk plot analysis


ACS Med Chem Lett 3: 505-508 (2012)


Article DOI: 10.1021/ml300081u
BindingDB Entry DOI: 10.7270/Q2JQ122X
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50388925
PNG
(CHEMBL2063396)
Show SMILES CCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(CN(C)C)c3ccccc23)NC1=O
Show InChI InChI=1S/C29H44N6O4/c1-7-10-23-28(38)33-24(14-20-16-35(17-34(5)6)25-12-9-8-11-22(20)25)29(39)31-21(13-18(2)3)15-26(36)30-19(4)27(37)32-23/h8-9,11-12,16,18-19,21,23-24H,7,10,13-15,17H2,1-6H3,(H,30,36)(H,31,39)(H,32,37)(H,33,38)/t19-,21-,23-,24-/m0/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC3/NCoR2 using Ac-Lys(Ac)-AMC as substrate by Lineweaver-Burk plot analysis


ACS Med Chem Lett 3: 505-508 (2012)


Article DOI: 10.1021/ml300081u
BindingDB Entry DOI: 10.7270/Q2JQ122X
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50388925
PNG
(CHEMBL2063396)
Show SMILES CCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(CN(C)C)c3ccccc23)NC1=O
Show InChI InChI=1S/C29H44N6O4/c1-7-10-23-28(38)33-24(14-20-16-35(17-34(5)6)25-12-9-8-11-22(20)25)29(39)31-21(13-18(2)3)15-26(36)30-19(4)27(37)32-23/h8-9,11-12,16,18-19,21,23-24H,7,10,13-15,17H2,1-6H3,(H,30,36)(H,31,39)(H,32,37)(H,33,38)/t19-,21-,23-,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC1 using Ac-Lys(Ac)-AMC as substrate by Lineweaver-Burk plot analysis


ACS Med Chem Lett 3: 505-508 (2012)


Article DOI: 10.1021/ml300081u
BindingDB Entry DOI: 10.7270/Q2JQ122X
More data for this
Ligand-Target Pair