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BDBM50318673 (1R,3S)-5'-Bromo-3-methyl-3,4,5,1'-tetrahydro-2H-spiro[azepino-[3,4-b]indole-1,3'-indol]-2'(1'H)-one::CHEMBL1083766

SMILES: C[C@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Br)cc21

InChI Key: InChIKey=UUKQKTKLSBUXEX-PRWKNARSSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50318673   
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))
BDBM50318673
PNG
((1R,3S)-5'-Bromo-3-methyl-3,4,5,1'-tetrahydro-2H-s...)
Show SMILES C[C@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Br)cc21 |r|
Show InChI InChI=1S/C20H18BrN3O/c1-11-6-8-14-13-4-2-3-5-16(13)22-18(14)20(24-11)15-10-12(21)7-9-17(15)23-19(20)25/h2-5,7,9-11,22,24H,6,8H2,1H3,(H,23,25)/t11-,20+/m0/s1
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MMDB

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PC cid
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


J Med Chem 53: 5155-64 (2010)


Article DOI: 10.1021/jm100410f
BindingDB Entry DOI: 10.7270/Q2TM7C2C
More data for this
Ligand-Target Pair