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SMILES: CC1OC(=O)C(C)=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O

InChI Key:

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 = 50582621   
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))
BDBM50582621
PNG
(CHEMBL5077809)
Show SMILES CC1OC(=O)C(C)=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:6|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50582621
PNG
(CHEMBL5077809)
Show SMILES CC1OC(=O)C(C)=C1N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,c:6|
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00406
BindingDB Entry DOI: 10.7270/Q24M98D5
More data for this
Ligand-Target Pair