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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 = 'BDBM181665'   
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))
BDBM181665
PNG
(US9139577, 7.001 | US9708274, 7.001)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCN(C)CC1)c1cc(C)no1 |r|
Show InChI InChI=1S/C26H29FN6O3S/c1-16-11-20(32-37(34)9-7-33(4)8-10-37)14-22-25(16)26(29-15-28-22)30-21-6-5-19(27)13-24(21)35-18(3)23-12-17(2)31-36-23/h5-6,11-15,18H,7-10H2,1-4H3,(H,28,29,30)/t18-/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))
BDBM181665
PNG
(US9139577, 7.001 | US9708274, 7.001)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCN(C)CC1)c1cc(C)no1 |r|
Show InChI InChI=1S/C26H29FN6O3S/c1-16-11-20(32-37(34)9-7-33(4)8-10-37)14-22-25(16)26(29-15-28-22)30-21-6-5-19(27)13-24(21)35-18(3)23-12-17(2)31-36-23/h5-6,11-15,18H,7-10H2,1-4H3,(H,28,29,30)/t18-/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