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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 = 'BDBM181573'   
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))
BDBM181573
PNG
(US9139577, 4.079 | US9708274, 4.079)
Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F
Show InChI InChI=1S/C24H25ClF3N5O3S/c1-13-9-17(33-37(35)7-4-8-37)11-19-21(13)22(30-12-29-19)32-18-6-5-16(25)10-20(18)36-14(2)23(34)31-15(3)24(26,27)28/h5-6,9-12,14-15H,4,7-8H2,1-3H3,(H,31,34)(H,29,30,32)/t14-,15+/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))
BDBM181573
PNG
(US9139577, 4.079 | US9708274, 4.079)
Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F
Show InChI InChI=1S/C24H25ClF3N5O3S/c1-13-9-17(33-37(35)7-4-8-37)11-19-21(13)22(30-12-29-19)32-18-6-5-16(25)10-20(18)36-14(2)23(34)31-15(3)24(26,27)28/h5-6,9-12,14-15H,4,7-8H2,1-3H3,(H,31,34)(H,29,30,32)/t14-,15+/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