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BDBM459181 US10759799, Compound 2

SMILES: O=C1CCc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2

InChI Key: InChIKey=IMWDJFUZWJQXFN-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 459181   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459181
PNG
(US10759799, Compound 2)
Show SMILES O=C1CCc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2
Show InChI InChI=1S/C27H19N7O/c35-23-7-4-15-2-1-3-17(10-15)24-26-22(8-9-29-24)31-27(32-26)25-20-12-16(5-6-21(20)33-34-25)18-11-19(30-23)14-28-13-18/h1-3,5-6,8-14H,4,7H2,(H,30,35)(H,31,32)(H,33,34)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM459181
PNG
(US10759799, Compound 2)
Show SMILES O=C1CCc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2
Show InChI InChI=1S/C27H19N7O/c35-23-7-4-15-2-1-3-17(10-15)24-26-22(8-9-29-24)31-27(32-26)25-20-12-16(5-6-21(20)33-34-25)18-11-19(30-23)14-28-13-18/h1-3,5-6,8-14H,4,7H2,(H,30,35)(H,31,32)(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Divis...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair