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BDBM163627 SR-3459

SMILES: CCCCNNC(=O)c1ccc(C[N-][N+]#N)cc1

InChI Key: InChIKey=NRJRDICLAPALFB-UHFFFAOYSA-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 = 163627   
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
HDAC1/NCOR2


(Homo sapiens (Human))
BDBM163627
PNG
(SR-3459)
Show SMILES CCCCNNC(=O)c1ccc(C[N-][N+]#N)cc1
Show InChI InChI=1S/C12H17N5O/c1-2-3-8-14-16-12(18)11-6-4-10(5-7-11)9-15-17-13/h4-7,14H,2-3,8-9H2,1H3,(H,16,18)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of Florida College of Medicine



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair
HDAC2/NCOR2


(Homo sapiens (Human))
BDBM163627
PNG
(SR-3459)
Show SMILES CCCCNNC(=O)c1ccc(C[N-][N+]#N)cc1
Show InChI InChI=1S/C12H17N5O/c1-2-3-8-14-16-12(18)11-6-4-10(5-7-11)9-15-17-13/h4-7,14H,2-3,8-9H2,1H3,(H,16,18)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



University of Florida College of Medicine



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM163627
PNG
(SR-3459)
Show SMILES CCCCNNC(=O)c1ccc(C[N-][N+]#N)cc1
Show InChI InChI=1S/C12H17N5O/c1-2-3-8-14-16-12(18)11-6-4-10(5-7-11)9-15-17-13/h4-7,14H,2-3,8-9H2,1H3,(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



University of Florida College of Medicine



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM163627
PNG
(SR-3459)
Show SMILES CCCCNNC(=O)c1ccc(C[N-][N+]#N)cc1
Show InChI InChI=1S/C12H17N5O/c1-2-3-8-14-16-12(18)11-6-4-10(5-7-11)9-15-17-13/h4-7,14H,2-3,8-9H2,1H3,(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Florida College of Medicine



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair
HDAC3/NCOR2


(Homo sapiens (Human))
BDBM163627
PNG
(SR-3459)
Show SMILES CCCCNNC(=O)c1ccc(C[N-][N+]#N)cc1
Show InChI InChI=1S/C12H17N5O/c1-2-3-8-14-16-12(18)11-6-4-10(5-7-11)9-15-17-13/h4-7,14H,2-3,8-9H2,1H3,(H,16,18)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Florida College of Medicine



Assay Description
Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395498)) were obtained from BPS ...


Chem Biol 22: 273-84 (2015)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2TX3D48
More data for this
Ligand-Target Pair