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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 = 'BDBM50598850'   
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))
BDBM50598850
PNG
(CHEMBL5196713)
Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc12 |(.92,2.78,;1.81,1.93,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,;1.45,.43,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;-3.87,2.68,;-4.93,3.3,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,)|
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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))
BDBM50598850
PNG
(CHEMBL5196713)
Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc12 |(.92,2.78,;1.81,1.93,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,;1.45,.43,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;-3.87,2.68,;-4.93,3.3,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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