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BDBM181605 US9139577, 4.111::US9708274, 4.111

SMILES: C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F

InChI Key: InChIKey=ZSXNGCBZKOTWNV-CQSZACIVSA-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 = 181605   
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))
BDBM181605
PNG
(US9139577, 4.111 | US9708274, 4.111)
Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F
Show InChI InChI=1S/C23H24ClF2N5O3S/c1-13-8-16(31-35(33)6-3-7-35)10-18-21(13)22(29-12-28-18)30-17-5-4-15(24)9-19(17)34-14(2)23(32)27-11-20(25)26/h4-5,8-10,12,14,20H,3,6-7,11H2,1-2H3,(H,27,32)(H,28,29,30)/t14-/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 signal-integrating kinase 2


(Homo sapiens (Human))
BDBM181605
PNG
(US9139577, 4.111 | US9708274, 4.111)
Show SMILES C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F
Show InChI InChI=1S/C23H24ClF2N5O3S/c1-13-8-16(31-35(33)6-3-7-35)10-18-21(13)22(29-12-28-18)30-17-5-4-15(24)9-19(17)34-14(2)23(32)27-11-20(25)26/h4-5,8-10,12,14,20H,3,6-7,11H2,1-2H3,(H,27,32)(H,28,29,30)/t14-/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