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BDBM50383947 CHEMBL2031982

SMILES: Fc1ccc(cc1)C(CCCCCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1

InChI Key: InChIKey=RYLXNIBUJUTFDK-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383947   
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))
BDBM50383947
PNG
(CHEMBL2031982)
Show SMILES Fc1ccc(cc1)C(CCCCCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1
Show InChI InChI=1S/C32H32F8N2O/c33-27-9-5-22(6-10-27)29(23-7-11-28(34)12-8-23)4-2-1-3-14-42-15-13-21(20-42)19-41-30(43)24-16-25(31(35,36)37)18-26(17-24)32(38,39)40/h5-12,16-18,21,29H,1-4,13-15,19-20H2,(H,41,43)
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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Zalicus Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Erg expressed in HEK293 cells by whole cell patch clamp analysis


Bioorg Med Chem Lett 22: 4153-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.054
BindingDB Entry DOI: 10.7270/Q2PZ59TV
More data for this
Ligand-Target Pair