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SMILES: CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)[C@@H](F)C1

InChI Key:

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 = 484640   
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))
BDBM484640
PNG
(US10934297, Compound 34 | US11713320, Compound 34)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
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 16n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484640
PNG
(US10934297, Compound 34 | US11713320, Compound 34)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 50n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q20P144B
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484640
PNG
(US10934297, Compound 34 | US11713320, Compound 34)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 16n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q20P144B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484640
PNG
(US10934297, Compound 34 | US11713320, Compound 34)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
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 50n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair