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BDBM50395397 CHEMBL2165065

SMILES: F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1

InChI Key: InChIKey=JYJKOWWSKTWAJA-LEWJYISDSA-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 = 50395397   
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))
BDBM50395397
PNG
(CHEMBL2165065)
Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1
Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6916-33 (2012)


Article DOI: 10.1021/jm300690s
BindingDB Entry DOI: 10.7270/Q23B6188
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50395397
PNG
(CHEMBL2165065)
Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1
Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.99E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Ionworks assay


J Med Chem 55: 6916-33 (2012)


Article DOI: 10.1021/jm300690s
BindingDB Entry DOI: 10.7270/Q23B6188
More data for this
Ligand-Target Pair