BindingDB logo
myBDB logout

BDBM50509456 CHEMBL4451376

SMILES: CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1

InChI Key: InChIKey=ATAYIUXFFSKHFW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50509456   
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


(Homo sapiens (Human))
BDBM50509456
PNG
(CHEMBL4451376)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.82E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 2


(Homo sapiens (Human))
BDBM50509456
PNG
(CHEMBL4451376)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50509456
PNG
(CHEMBL4451376)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50509456
PNG
(CHEMBL4451376)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells ZMAL as substrate incubated for 90 min...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50509456
PNG
(CHEMBL4451376)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50509456
PNG
(CHEMBL4451376)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 369n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...


J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair