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SMILES: ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2cccs2)cc1

InChI Key: InChIKey=VUJJQKQOQDBDEW-VAWYXSNFSA-N

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 2 hits for monomerid = 50350819   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350819
PNG
(CHEMBL1819258)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(27-29)12-11-17-7-9-18(10-8-17)16-25-14-13-20-19-4-1-2-5-21(19)26-24(20)22-6-3-15-30-22/h1-12,15,25-26,29H,13-14,16H2,(H,27,28)/b12-11+
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PC cid
PC sid
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Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by radioligand binding assay


J Med Chem 54: 4752-72 (2011)


Article DOI: 10.1021/jm200388e
BindingDB Entry DOI: 10.7270/Q23N24DW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50350819
PNG
(CHEMBL1819258)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(27-29)12-11-17-7-9-18(10-8-17)16-25-14-13-20-19-4-1-2-5-21(19)26-24(20)22-6-3-15-30-22/h1-12,15,25-26,29H,13-14,16H2,(H,27,28)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 54: 4752-72 (2011)


Article DOI: 10.1021/jm200388e
BindingDB Entry DOI: 10.7270/Q23N24DW
More data for this
Ligand-Target Pair