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BDBM214645 US9284319, R2::US9730929, Example R3::US9783543, R3

SMILES: C1CCC(CC1)Nc1ccc2ncc(-c3ccncc3)n2n1

InChI Key: InChIKey=YVRUYSCWCKYUQI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 214645   
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
GST-MKNK1


(Homo sapiens (Human))
BDBM214645
PNG
(US9284319, R2 | US9730929, Example R3 | US9783543,...)
Show SMILES C1CCC(CC1)Nc1ccc2ncc(-c3ccncc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-2-4-14(5-3-1)20-16-6-7-17-19-12-15(22(17)21-16)13-8-10-18-11-9-13/h6-12,14H,1-5H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 118n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214645
PNG
(US9284319, R2 | US9730929, Example R3 | US9783543,...)
Show SMILES C1CCC(CC1)Nc1ccc2ncc(-c3ccncc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-2-4-14(5-3-1)20-16-6-7-17-19-12-15(22(17)21-16)13-8-10-18-11-9-13/h6-12,14H,1-5H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
mknk1 high atp


(Homo sapiens (Human))
BDBM214645
PNG
(US9284319, R2 | US9730929, Example R3 | US9783543,...)
Show SMILES C1CCC(CC1)Nc1ccc2ncc(-c3ccncc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-2-4-14(5-3-1)20-16-6-7-17-19-12-15(22(17)21-16)13-8-10-18-11-9-13/h6-12,14H,1-5H2,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 230n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...


US Patent US9730929 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.045
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM214645
PNG
(US9284319, R2 | US9730929, Example R3 | US9783543,...)
Show SMILES C1CCC(CC1)Nc1ccc2ncc(-c3ccncc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-2-4-14(5-3-1)20-16-6-7-17-19-12-15(22(17)21-16)13-8-10-18-11-9-13/h6-12,14H,1-5H2,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 230n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9783543 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.028
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM214645
PNG
(US9284319, R2 | US9730929, Example R3 | US9783543,...)
Show SMILES C1CCC(CC1)Nc1ccc2ncc(-c3ccncc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-2-4-14(5-3-1)20-16-6-7-17-19-12-15(22(17)21-16)13-8-10-18-11-9-13/h6-12,14H,1-5H2,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 118n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9783543 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.028
More data for this
Ligand-Target Pair