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BDBM218220 US9249087, 59

SMILES: COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)NO

InChI Key: InChIKey=JBIMZYHMXSAQOQ-ZDUSSCGKSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 218220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM218220
PNG
(US9249087, 59)
Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.79E+4n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM218220
PNG
(US9249087, 59)
Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.82E+3n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM218220
PNG
(US9249087, 59)
Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/a8.0n/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


US Patent US9249087 (2016)


BindingDB Entry DOI: 10.7270/Q2Q23Z3W
More data for this
Ligand-Target Pair