BindingDB logo
myBDB logout

BDBM50065629 CHEMBL3401424

SMILES: Cl.C1CCN(C1)C12CC(C(CNC1)C(C2)c1ccccc1)c1ccccc1

InChI Key: InChIKey=WNGKMIXRPSZBEG-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 = 50065629   
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))
BDBM50065629
PNG
(CHEMBL3401424)
Show SMILES Cl.C1CCN(C1)C12CC(C(CNC1)C(C2)c1ccccc1)c1ccccc1 |THB:21:8:13.14:12.11.10,15:13:8.7:12.11.10,(6.25,-1.11,;3.69,2.29,;2.84,3.58,;1.35,3.17,;1.3,1.64,;2.73,1.09,;.02,.79,;,2.34,;-.7,1.05,;-.62,-.75,;.87,-.68,;1.96,-1.45,;1.56,.11,;-1.7,-1.51,;-1.36,.04,;-2.55,-2.79,;-3.98,-3.3,;-4.25,-4.82,;-3.08,-5.81,;-1.63,-5.29,;-1.35,-3.78,;-2.2,1.4,;-2.35,2.95,;-3.75,3.6,;-5,2.71,;-4.86,1.17,;-3.46,.53,)|
Show InChI InChI=1S/C24H30N2/c1-3-9-19(10-4-1)21-15-24(26-13-7-8-14-26)16-22(23(21)17-25-18-24)20-11-5-2-6-12-20/h1-6,9-12,21-23,25H,7-8,13-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.63E+3n/an/an/an/an/an/a



Karl-Franzens-University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as reduction in tail current at membrane potential of +20 mV


Bioorg Med Chem Lett 25: 1390-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.044
BindingDB Entry DOI: 10.7270/Q28G8ND6
More data for this
Ligand-Target Pair