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BDBM207749 US9265734, R29

SMILES: Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2cccc(F)c2[nH]1

InChI Key: InChIKey=SRJBNYGUCHLOJS-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 = 207749   
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))
BDBM207749
PNG
(US9265734, R29)
Show SMILES Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C21H23FN4O2/c22-15-8-6-7-14-13-18(26-20(14)15)21(28)24-12-5-1-2-11-19(27)25-17-10-4-3-9-16(17)23/h3-4,6-10,13,26H,1-2,5,11-12,23H2,(H,24,28)(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/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))
BDBM207749
PNG
(US9265734, R29)
Show SMILES Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C21H23FN4O2/c22-15-8-6-7-14-13-18(26-20(14)15)21(28)24-12-5-1-2-11-19(27)25-17-10-4-3-9-16(17)23/h3-4,6-10,13,26H,1-2,5,11-12,23H2,(H,24,28)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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