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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase 3' and Ligand = 'BDBM461310'   
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 3


(Homo sapiens (Human))
BDBM461310
PNG
(US10774068, Example 15 | US11427560, Example 15)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4Br)c(Cl)c3)c2cc1NC(=O)CCCN(C)C
Show InChI InChI=1S/C30H30BrClN6O3/c1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(23(32)13-20)41-18-26-22(31)7-5-11-34-26/h5,7,9-11,13-15,17H,4,6,8,12,18H2,1-3H3,(H,35,36)(H,37,39)
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2P272CX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM461310
PNG
(US10774068, Example 15 | US11427560, Example 15)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4Br)c(Cl)c3)c2cc1NC(=O)CCCN(C)C
Show InChI InChI=1S/C30H30BrClN6O3/c1-4-40-28-15-24-21(14-25(28)37-29(39)8-6-12-38(2)3)30(19(16-33)17-35-24)36-20-9-10-27(23(32)13-20)41-18-26-22(31)7-5-11-34-26/h5,7,9-11,13-15,17H,4,6,8,12,18H2,1-3H3,(H,35,36)(H,37,39)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



THE SCRIPPS RESEARCH INSTITUTE; UNIVERSITÄT BREMEN

US Patent


Assay Description
MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. ...


US Patent US10774068 (2020)


BindingDB Entry DOI: 10.7270/Q2S46W22
More data for this
Ligand-Target Pair