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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 = 'BDBM181607'   
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))
BDBM181607
PNG
(US9139577, 4.113 | US9708274, 4.113)
Show SMILES C[C@@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
Show InChI InChI=1S/C23H22F2N6O3S/c1-13(11-26)29-23(32)14(2)34-20-8-15(24)4-5-18(20)30-22-21-17(25)9-16(10-19(21)27-12-28-22)31-35(33)6-3-7-35/h4-5,8-10,12-14H,3,6-7H2,1-2H3,(H,29,32)(H,27,28,30)/t13-,14-/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))
BDBM181607
PNG
(US9139577, 4.113 | US9708274, 4.113)
Show SMILES C[C@@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
Show InChI InChI=1S/C23H22F2N6O3S/c1-13(11-26)29-23(32)14(2)34-20-8-15(24)4-5-18(20)30-22-21-17(25)9-16(10-19(21)27-12-28-22)31-35(33)6-3-7-35/h4-5,8-10,12-14H,3,6-7H2,1-2H3,(H,29,32)(H,27,28,30)/t13-,14-/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