BindingDB logo
myBDB logout

BDBM181401 US9139577, 2.009::US9708274, 2.009

SMILES: C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1

InChI Key: InChIKey=KBJGQQRVHPTDJO-QGZVFWFLSA-N

Data: 4 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 4 hits for monomerid = 181401   
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 signal-integrating kinase 2


(Homo sapiens (Human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 49n/an/an/an/an/an/a



EVOTEC INTERNATIONAL GMBH

US Patent


Assay Description
The inhibition of kinase activity of MNK1a was assessed using pre-activated GST-MNK1a. The 2xMKNK1 (MNK1) mixture is prepared in 50 mM HEPES pH 7.5, ...


US Patent US9708274 (2017)

More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 2


(Homo sapiens (Human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/an/an/a



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 MNK1


(Homo sapiens (human))
BDBM181401
PNG
(US9139577, 2.009 | US9708274, 2.009)
Show SMILES C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1
Show InChI InChI=1S/C24H26N6O3S/c1-15-11-18(30-34(31)9-4-5-10-34)13-20-22(15)23(27-14-26-20)28-19-7-6-8-25-24(19)32-17(3)21-12-16(2)29-33-21/h6-8,11-14,17H,4-5,9-10H2,1-3H3,(H,26,27,28)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 49n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The Z-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and n...


US Patent US9139577 (2015)


BindingDB Entry DOI: 10.7270/Q2K64GT1
More data for this
Ligand-Target Pair