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BDBM181536 US9139577, 4.042::US9708274, 4.042

SMILES: CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1

InChI Key: InChIKey=IFYUIQVHUMDLMV-QGZVFWFLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 181536   
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))
BDBM181536
PNG
(US9139577, 4.042 | US9708274, 4.042)
Show SMILES CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
Show InChI InChI=1S/C25H30FN5O3S/c1-15(2)29-25(32)17(4)34-22-12-18(26)7-8-20(22)30-24-23-16(3)11-19(13-21(23)27-14-28-24)31-35(33)9-5-6-10-35/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,29,32)(H,27,28,30)/t17-/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))
BDBM181536
PNG
(US9139577, 4.042 | US9708274, 4.042)
Show SMILES CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
Show InChI InChI=1S/C25H30FN5O3S/c1-15(2)29-25(32)17(4)34-22-12-18(26)7-8-20(22)30-24-23-16(3)11-19(13-21(23)27-14-28-24)31-35(33)9-5-6-10-35/h7-8,11-15,17H,5-6,9-10H2,1-4H3,(H,29,32)(H,27,28,30)/t17-/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