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BDBM50342751 CHEMBL1771485::N-hydroxy-3-(2-(4-(prop-2-ynyloxy)benzylidene)hydrazinecarbonyl)benzamide

SMILES: ONC(=O)c1cccc(c1)C(=O)N\N=C\c1ccc(OCC#C)cc1

InChI Key: InChIKey=ZNPSDGQOVMWWIJ-XDHOZWIPSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50342751   
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 2


(Homo sapiens (Human))
BDBM50342751
PNG
(CHEMBL1771485 | N-hydroxy-3-(2-(4-(prop-2-ynyloxy)...)
Show SMILES ONC(=O)c1cccc(c1)C(=O)N\N=C\c1ccc(OCC#C)cc1
Show InChI InChI=1S/C18H15N3O4/c1-2-10-25-16-8-6-13(7-9-16)12-19-20-17(22)14-4-3-5-15(11-14)18(23)21-24/h1,3-9,11-12,24H,10H2,(H,20,22)(H,21,23)/b19-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Howard Hughes Medical Institute

Curated by ChEMBL


Assay Description
Inhibition of full length HDAC2 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay


Bioorg Med Chem Lett 21: 2601-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.134
BindingDB Entry DOI: 10.7270/Q2ZC835M
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50342751
PNG
(CHEMBL1771485 | N-hydroxy-3-(2-(4-(prop-2-ynyloxy)...)
Show SMILES ONC(=O)c1cccc(c1)C(=O)N\N=C\c1ccc(OCC#C)cc1
Show InChI InChI=1S/C18H15N3O4/c1-2-10-25-16-8-6-13(7-9-16)12-19-20-17(22)14-4-3-5-15(11-14)18(23)21-24/h1,3-9,11-12,24H,10H2,(H,20,22)(H,21,23)/b19-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Howard Hughes Medical Institute

Curated by ChEMBL


Assay Description
Inhibition of full length HDAC8 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay


Bioorg Med Chem Lett 21: 2601-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.134
BindingDB Entry DOI: 10.7270/Q2ZC835M
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50342751
PNG
(CHEMBL1771485 | N-hydroxy-3-(2-(4-(prop-2-ynyloxy)...)
Show SMILES ONC(=O)c1cccc(c1)C(=O)N\N=C\c1ccc(OCC#C)cc1
Show InChI InChI=1S/C18H15N3O4/c1-2-10-25-16-8-6-13(7-9-16)12-19-20-17(22)14-4-3-5-15(11-14)18(23)21-24/h1,3-9,11-12,24H,10H2,(H,20,22)(H,21,23)/b19-12+
PDB

KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Howard Hughes Medical Institute

Curated by ChEMBL


Assay Description
Inhibition of full length HDAC3/NCoR2 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence...


Bioorg Med Chem Lett 21: 2601-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.134
BindingDB Entry DOI: 10.7270/Q2ZC835M
More data for this
Ligand-Target Pair