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BDBM207789 US9265734, R70

SMILES: Cn1ccc2cc(ccc12)C(=O)NCCCCCC(=O)Nc1ccccc1N

InChI Key: InChIKey=IUMVGFUPNUAWPX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 207789   
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 3


(Homo sapiens (Human))
BDBM207789
PNG
(US9265734, R70)
Show SMILES Cn1ccc2cc(ccc12)C(=O)NCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C22H26N4O2/c1-26-14-12-16-15-17(10-11-20(16)26)22(28)24-13-6-2-3-9-21(27)25-19-8-5-4-7-18(19)23/h4-5,7-8,10-12,14-15H,2-3,6,9,13,23H2,1H3,(H,24,28)(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/an/a



BIOMARIN PHARMACEUTICAL INC.

US Patent


Assay Description
HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48...


US Patent US9265734 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B5B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM207789
PNG
(US9265734, R70)
Show SMILES Cn1ccc2cc(ccc12)C(=O)NCCCCCC(=O)Nc1ccccc1N
Show InChI InChI=1S/C22H26N4O2/c1-26-14-12-16-15-17(10-11-20(16)26)22(28)24-13-6-2-3-9-21(27)25-19-8-5-4-7-18(19)23/h4-5,7-8,10-12,14-15H,2-3,6,9,13,23H2,1H3,(H,24,28)(H,25,27)
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 218n/an/an/an/an/an/a



BIOMARIN PHARMACEUTICAL INC.

US Patent


Assay Description
HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48...


US Patent US9265734 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B5B
More data for this
Ligand-Target Pair