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BDBM162752 US9056843, 43

SMILES: FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=YLBCXOIFKCBADR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 162752   
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 1


(Homo sapiens (Human))
BDBM162752
PNG
(US9056843, 43)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)21-26-19(27-30-21)17-6-8-18(9-7-17)20(29)28-12-10-16(11-13-28)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
A similar assay procedure as described in Test 2 was used for HDAC1. Human recombinant full length HDAC1 expressed in a baculovirus expression system...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM162752
PNG
(US9056843, 43)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)21-26-19(27-30-21)17-6-8-18(9-7-17)20(29)28-12-10-16(11-13-28)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
A similar assay procedure as described in Test 2 was used for HDAC6. Human recombinant full length HDAC6 expressed in a baculovirus expression system...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162752
PNG
(US9056843, 43)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)21-26-19(27-30-21)17-6-8-18(9-7-17)20(29)28-12-10-16(11-13-28)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 290n/an/an/an/a8.025



Novartis AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair