BindingDB logo
myBDB logout

BDBM50354191 CHEMBL1836147

SMILES: COc1cccc(CN2CCC(CNC(=O)c3cc(OC)cc(OC)c3)(CC2)C#N)c1

InChI Key: InChIKey=RDARPBAZEBQWOY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50354191   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50354191
PNG
(CHEMBL1836147)
Show SMILES COc1cccc(CN2CCC(CNC(=O)c3cc(OC)cc(OC)c3)(CC2)C#N)c1
Show InChI InChI=1S/C24H29N3O4/c1-29-20-6-4-5-18(11-20)15-27-9-7-24(16-25,8-10-27)17-26-23(28)19-12-21(30-2)14-22(13-19)31-3/h4-6,11-14H,7-10,15,17H2,1-3H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 21: 5910-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.087
BindingDB Entry DOI: 10.7270/Q2VD6ZT4
More data for this
Ligand-Target Pair