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SMILES: Cc1ncc2c(n1)[nH]c1c(cccc21)C1CC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50587479   
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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587479
PNG
(CHEMBL5082649)
Show SMILES Cc1ncc2c(n1)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial


(Homo sapiens)
BDBM50587479
PNG
(CHEMBL5082649)
Show SMILES Cc1ncc2c(n1)[nH]c1c(cccc21)C1CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant BCKDK incubated for 60 mins in presence of ATP by ADP-Glo reagent based luminescent assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50587479
PNG
(CHEMBL5082649)
Show SMILES Cc1ncc2c(n1)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.87E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair