BindingDB logo
myBDB logout

BDBM50127990 5-tert-Butyl-1-(4-fluoro-phenyl)-1H-indole::CHEMBL299590

SMILES: CC(C)(C)c1ccc2n(ccc2c1)-c1ccc(F)cc1

InChI Key: InChIKey=LKTSQUIZGWIGAG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50127990   
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))
BDBM50127990
PNG
(5-tert-Butyl-1-(4-fluoro-phenyl)-1H-indole | CHEMB...)
Show SMILES CC(C)(C)c1ccc2n(ccc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN/c1-18(2,3)14-4-9-17-13(12-14)10-11-20(17)16-7-5-15(19)6-8-16/h4-12H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1


Bioorg Med Chem Lett 13: 1829-35 (2003)


BindingDB Entry DOI: 10.7270/Q2TX3FX0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50127990
PNG
(5-tert-Butyl-1-(4-fluoro-phenyl)-1H-indole | CHEMB...)
Show SMILES CC(C)(C)c1ccc2n(ccc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN/c1-18(2,3)14-4-9-17-13(12-14)10-11-20(17)16-7-5-15(19)6-8-16/h4-12H,1-3H3
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 1.00E+4n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair