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SMILES: Cn1cc(Nc2ncc3cc(C#N)n(C4CCOCC4)c3n2)c(OC2COC2)n1

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 3 hits for monomerid = 577599   
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
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM577599
PNG
(WO2022263472, Example 80)
Show SMILES Cn1cc(Nc2ncc3cc(C#N)n(C4CCOCC4)c3n2)c(OC2COC2)n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022263472
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
The measurements of the activities were made using a LRRK2-G2019S(human) Kinase activity assay as described hereunder. The potency of compounds was e...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S75KKQ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM577599
PNG
(WO2022263472, Example 80)
Show SMILES Cn1cc(Nc2ncc3cc(C#N)n(C4CCOCC4)c3n2)c(OC2COC2)n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022263472
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
LRRK2(human) is incubated with 50 mM HEPES pH 8.0, 0.2 mM EDTA, 0.01 %Brij-35, 1% (w/v) BSA, 5 mM DTT, 250 Mm RLGRDKYKTLRQIRQ, 10 mM Magnesium aceta...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S75KKQ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM577599
PNG
(WO2022263472, Example 80)
Show SMILES Cn1cc(Nc2ncc3cc(C#N)n(C4CCOCC4)c3n2)c(OC2COC2)n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022263472
n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
The measurements of the activities were made using a LRRK2-G2019S(human) Kinase activity assay as described hereunder. The potency of compounds was e...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S75KKQ
More data for this
Ligand-Target Pair