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BDBM181501 US9139577, 4.007::US9708274, 4.007

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

InChI Key: InChIKey=GSHPIGVLCCXMJC-XISACWJONA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 181501   
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))
BDBM181501
PNG
(US9139577, 4.007 | US9708274, 4.007)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC#N
Show InChI InChI=1/C24H25FN6O3S/c1-15-11-18(31-35(33)9-3-4-10-35)13-20-22(15)23(29-14-28-20)30-19-6-5-17(25)12-21(19)34-16(2)24(32)27-8-7-26/h5-6,11-14,16H,3-4,8-10H2,1-2H3,(H,27,32)(H,28,29,30)/t16-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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))
BDBM181501
PNG
(US9139577, 4.007 | US9708274, 4.007)
Show SMILES C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC#N
Show InChI InChI=1/C24H25FN6O3S/c1-15-11-18(31-35(33)9-3-4-10-35)13-20-22(15)23(29-14-28-20)30-19-6-5-17(25)12-21(19)34-16(2)24(32)27-8-7-26/h5-6,11-14,16H,3-4,8-10H2,1-2H3,(H,27,32)(H,28,29,30)/t16-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/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