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SMILES: CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(F)c1

InChI Key: InChIKey=HEXAUFHFVWRLAS-UHFFFAOYSA-N

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 = 442834   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM442834
PNG
(US10653688, Compound 20)
Show SMILES CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(F)c1
Show InChI InChI=1S/C21H21FN4O/c1-26-6-4-14(5-7-26)21(27)25-20-10-17-8-15(2-3-16(17)12-24-20)18-9-19(22)13-23-11-18/h2-3,8-14H,4-7H2,1H3,(H,24,25,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 31n/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 US10653688 (2020)


BindingDB Entry DOI: 10.7270/Q2Z322PW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM442834
PNG
(US10653688, Compound 20)
Show SMILES CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(F)c1
Show InChI InChI=1S/C21H21FN4O/c1-26-6-4-14(5-7-26)21(27)25-20-10-17-8-15(2-3-16(17)12-24-20)18-9-19(22)13-23-11-18/h2-3,8-14H,4-7H2,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.28E+3n/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 US10653688 (2020)


BindingDB Entry DOI: 10.7270/Q2Z322PW
More data for this
Ligand-Target Pair