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BDBM50204275 CHEMBL3974889

SMILES: [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C

InChI Key:

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 = 50204275   
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))
BDBM50204275
PNG
(CHEMBL3974889)
Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50204275
PNG
(CHEMBL3974889)
Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1cnc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair