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SMILES: CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC

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 = 50585822   
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))
BDBM50585822
PNG
(CHEMBL5083369)
Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hERG by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02110
BindingDB Entry DOI: 10.7270/Q2057KV7
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))
BDBM50585822
PNG
(CHEMBL5083369)
Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(O[C@@H](C)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 87n/an/an/an/a


TBA

Assay Description
Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02110
BindingDB Entry DOI: 10.7270/Q2057KV7
More data for this
Ligand-Target Pair