BindingDB logo
myBDB logout

BDBM181588 US9139577, 4.094::US9708274, 4.094

SMILES: C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F

InChI Key: InChIKey=JQCIDUZHZZXMAK-KGLIPLIRSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 181588   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM181588
PNG
(US9139577, 4.094 | US9708274, 4.094)
Show SMILES C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N6O3S/c1-12-9-15(33-37(35)7-4-8-37)10-17-19(12)20(29-11-28-17)31-16-5-6-18(24)32-22(16)36-13(2)21(34)30-14(3)23(25,26)27/h5-6,9-11,13-14H,4,7-8H2,1-3H3,(H,30,34)(H,28,29,31)/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)

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


(Homo sapiens (Human))
BDBM181588
PNG
(US9139577, 4.094 | US9708274, 4.094)
Show SMILES C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N6O3S/c1-12-9-15(33-37(35)7-4-8-37)10-17-19(12)20(29-11-28-17)31-16-5-6-18(24)32-22(16)36-13(2)21(34)30-14(3)23(25,26)27/h5-6,9-11,13-14H,4,7-8H2,1-3H3,(H,30,34)(H,28,29,31)/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