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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase N3' and Ligand = 'BDBM50601538'   
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
Serine/threonine-protein kinase N3


(Homo sapiens (Human))
BDBM50601538
PNG
(CHEMBL5090394)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02144
BindingDB Entry DOI: 10.7270/Q2W66QTG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N3


(Homo sapiens (Human))
BDBM50601538
PNG
(CHEMBL5090394)
Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02144
BindingDB Entry DOI: 10.7270/Q2W66QTG
More data for this
Ligand-Target Pair