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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase' and Ligand = 'BDBM50598836'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598836
PNG
(CHEMBL5190822)
Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C4=CCCC4)c3nc12 |t:24,(2.67,-3.9,;2.96,-2.7,;4.44,-2.27,;4.8,-.77,;3.69,.29,;3.98,1.49,;2.21,-.14,;1.32,.71,;1.85,-1.64,;.34,-1.96,;-.28,-3.37,;.33,-4.44,;-1.81,-3.21,;-2.84,-4.35,;-4.05,-4.1,;-2.46,-5.53,;-2.13,-1.7,;-3.47,-.93,;-3.47,.61,;-4.8,1.38,;-4.8,2.92,;-3.47,3.69,;-2.13,2.92,;-.8,3.69,;-.66,5.21,;.85,5.53,;1.62,4.19,;.59,3.05,;-2.13,1.38,;-.8,.61,;-.8,-.93,)|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598836
PNG
(CHEMBL5190822)
Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C4=CCCC4)c3nc12 |t:24,(2.67,-3.9,;2.96,-2.7,;4.44,-2.27,;4.8,-.77,;3.69,.29,;3.98,1.49,;2.21,-.14,;1.32,.71,;1.85,-1.64,;.34,-1.96,;-.28,-3.37,;.33,-4.44,;-1.81,-3.21,;-2.84,-4.35,;-4.05,-4.1,;-2.46,-5.53,;-2.13,-1.7,;-3.47,-.93,;-3.47,.61,;-4.8,1.38,;-4.8,2.92,;-3.47,3.69,;-2.13,2.92,;-.8,3.69,;-.66,5.21,;.85,5.53,;1.62,4.19,;.59,3.05,;-2.13,1.38,;-.8,.61,;-.8,-.93,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 550n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair