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SMILES: CCn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 555147   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM555147
PNG
(US11339167, Example 9)
Show SMILES CCn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |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/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Specifically, the inhibitory activities against JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase ass...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P92M0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM555147
PNG
(US11339167, Example 9)
Show SMILES CCn1cc(Nc2nc(O[C@H]3CN(CC[C@@H]3F)C(=O)C=C)c3c(Cl)c[nH]c3n2)cn1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Specifically, the inhibitory activities against JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase ass...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P92M0
More data for this
Ligand-Target Pair