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BDBM162860 US9056843, 151

SMILES: CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F

InChI Key: InChIKey=JGZQUKKFHYQNLD-LLVKDONJSA-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 = 162860   
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))
BDBM162860
PNG
(US9056843, 151)
Show SMILES CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C18H22F4N4O2/c1-4-5-8-26(3)10-11(2)23-16(27)13-7-6-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,27)/t11-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.70E+3n/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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM162860
PNG
(US9056843, 151)
Show SMILES CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C18H22F4N4O2/c1-4-5-8-26(3)10-11(2)23-16(27)13-7-6-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,27)/t11-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.60E+3n/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))
BDBM162860
PNG
(US9056843, 151)
Show SMILES CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C18H22F4N4O2/c1-4-5-8-26(3)10-11(2)23-16(27)13-7-6-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,27)/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/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