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BDBM50386660 CHEMBL2048751

SMILES: ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=FUUWQMNGOYFALL-KRXBUXKQSA-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 = 50386660   
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))
BDBM50386660
PNG
(CHEMBL2048751)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33.2n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50386660
PNG
(CHEMBL2048751)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59.2n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50386660
PNG
(CHEMBL2048751)
Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 199n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair