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BDBM207746 US9265734, R26

SMILES: Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=TVTJCIOUBKLDKF-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 = 207746   
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))
BDBM207746
PNG
(US9265734, R26)
Show SMILES Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H23ClN4O2/c22-15-9-10-17-14(12-15)13-19(25-17)21(28)24-11-5-1-2-8-20(27)26-18-7-4-3-6-16(18)23/h3-4,6-7,9-10,12-13,25H,1-2,5,8,11,23H2,(H,24,28)(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM207746
PNG
(US9265734, R26)
Show SMILES Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H23ClN4O2/c22-15-9-10-17-14(12-15)13-19(25-17)21(28)24-11-5-1-2-8-20(27)26-18-7-4-3-6-16(18)23/h3-4,6-7,9-10,12-13,25H,1-2,5,8,11,23H2,(H,24,28)(H,26,27)
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 203n/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