BindingDB logo
myBDB logout

null

SMILES: CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(F)c1)CC(=O)[C@H]1Cc2ccc(O)cc2CN1

InChI Key: InChIKey=LGECDTZEHTVSOU-ZDGQEMPXSA-N

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 = 50058428   
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))		BDBM50058428
PNG
(CHEMBL3326784)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(F)c1)CC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C29H39FN2O2/c1-19(2)23(14-28(34)27-13-21-8-9-26(33)12-22(21)16-31-27)18-32-11-10-29(4,20(3)17-32)24-6-5-7-25(30)15-24/h5-9,12,15,19-20,23,27,31,33H,10-11,13-14,16-18H2,1-4H3/t20-,23+,27+,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
 6.25E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG

J Med Chem 57: 7367-81 (2014)


Article DOI: 10.1021/jm5008177
BindingDB Entry DOI: 10.7270/Q21R6S5J
More data for this
Ligand-Target Pair