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SMILES: CC(=O)NCCCc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO

InChI Key: InChIKey=SSDBPMQTAIILCX-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 = 218193   
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))
BDBM218193
PNG
(US9249087, 36)
Show SMILES CC(=O)NCCCc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H22N4O3/c1-14(25)21-12-4-7-19-22-17-5-2-3-6-18(17)24(19)13-15-8-10-16(11-9-15)20(26)23-27/h2-3,5-6,8-11,27H,4,7,12-13H2,1H3,(H,21,25)(H,23,26)
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 47n/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 1


(Homo sapiens (Human))
BDBM218193
PNG
(US9249087, 36)
Show SMILES CC(=O)NCCCc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H22N4O3/c1-14(25)21-12-4-7-19-22-17-5-2-3-6-18(17)24(19)13-15-8-10-16(11-9-15)20(26)23-27/h2-3,5-6,8-11,27H,4,7,12-13H2,1H3,(H,21,25)(H,23,26)
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 1.47E+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