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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-interacting serine/threonine-protein kinase 2' and Ligand = 'BDBM181585'   
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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181585
PNG
(US9139577, 4.091 | US9708274, 4.091)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C21H20ClF4N5O3S/c1-11(20(32)27-9-21(24,25)26)34-17-6-12(23)4-5-15(17)30-19-18-14(22)7-13(31-35(2,3)33)8-16(18)28-10-29-19/h4-8,10-11H,9H2,1-3H3,(H,27,32)(H,28,29,30)/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/a25



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9708274 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JJG
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181585
PNG
(US9139577, 4.091 | US9708274, 4.091)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C21H20ClF4N5O3S/c1-11(20(32)27-9-21(24,25)26)34-17-6-12(23)4-5-15(17)30-19-18-14(22)7-13(31-35(2,3)33)8-16(18)28-10-29-19/h4-8,10-11H,9H2,1-3H3,(H,27,32)(H,28,29,30)/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from Per...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair