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SMILES: COc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1

InChI Key: InChIKey=ZXGFCHWWLPADDY-UHFFFAOYSA-N

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 2 hits for monomerid = 239059   
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 6


(Homo sapiens (Human))
BDBM239059
PNG
(US9409858, 9a)
Show SMILES COc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c1-23-14-8-6-13(7-9-14)18-16(21)17-10-11-2-4-12(5-3-11)15(20)19-22/h2-9,22H,10H2,1H3,(H,19,20)(H2,17,18,21)
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 8.30n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM239059
PNG
(US9409858, 9a)
Show SMILES COc1ccc(NC(=O)NCc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H17N3O4/c1-23-14-8-6-13(7-9-14)18-16(21)17-10-11-2-4-12(5-3-11)15(20)19-22/h2-9,22H,10H2,1H3,(H,19,20)(H2,17,18,21)
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 1.06E+3n/an/an/an/a8.0n/a



H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois

US Patent


Assay Description
HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...


US Patent US9409858 (2016)


BindingDB Entry DOI: 10.7270/Q21V5CWN
More data for this
Ligand-Target Pair