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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 = 'BDBM181530'   
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))
BDBM181530
PNG
(US9139577, 4.036 | US9708274, 4.036)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)F
Show InChI InChI=1S/C22H24F3N5O3S/c1-12-7-15(30-34(3,4)32)9-17-20(12)21(28-11-27-17)29-16-6-5-14(23)8-18(16)33-13(2)22(31)26-10-19(24)25/h5-9,11,13,19H,10H2,1-4H3,(H,26,31)(H,27,28,29)/t13-/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)

More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM181530
PNG
(US9139577, 4.036 | US9708274, 4.036)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)F
Show InChI InChI=1S/C22H24F3N5O3S/c1-12-7-15(30-34(3,4)32)9-17-20(12)21(28-11-27-17)29-16-6-5-14(23)8-18(16)33-13(2)22(31)26-10-19(24)25/h5-9,11,13,19H,10H2,1-4H3,(H,26,31)(H,27,28,29)/t13-/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