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BDBM50146076 CHEMBL3764525

SMILES: CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO

InChI Key: InChIKey=HHDICTUTXIOTBC-WOJGMQOQSA-N

Data: 5 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 5 hits for monomerid = 50146076   
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
Hdac5 protein


(Rattus norvegicus)
BDBM50146076
PNG
(CHEMBL3764525)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 21n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of HDAC in rat liver by fluorimetry


J Med Chem 59: 655-70 (2016)


BindingDB Entry DOI: 10.7270/Q2VD71B2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50146076
PNG
(CHEMBL3764525)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 by fluorimetry


J Med Chem 59: 655-70 (2016)


BindingDB Entry DOI: 10.7270/Q2VD71B2
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50146076
PNG
(CHEMBL3764525)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 230n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 by fluorimetry


J Med Chem 59: 655-70 (2016)


BindingDB Entry DOI: 10.7270/Q2VD71B2
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50146076
PNG
(CHEMBL3764525)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 by fluorimetry


J Med Chem 59: 655-70 (2016)


BindingDB Entry DOI: 10.7270/Q2VD71B2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50146076
PNG
(CHEMBL3764525)
Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Universidade Federal de Alfenas

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 by fluorimetry


J Med Chem 59: 655-70 (2016)


BindingDB Entry DOI: 10.7270/Q2VD71B2
More data for this
Ligand-Target Pair