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SMILES: CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F

InChI Key: InChIKey=OALFONBONKOVKV-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 3 hits for monomerid = 384426   
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))
BDBM384426
PNG
(US10590114, No. 112 | US11111235, No. 112 | US9932...)
Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O2S/c1-3-18-12-9(14(15,16)17)6-19-13(21-12)20-10-7-23(26(2,24)25)22-11(10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,18,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384426
PNG
(US10590114, No. 112 | US11111235, No. 112 | US9932...)
Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O2S/c1-3-18-12-9(14(15,16)17)6-19-13(21-12)20-10-7-23(26(2,24)25)22-11(10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,18,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM384426
PNG
(US10590114, No. 112 | US11111235, No. 112 | US9932...)
Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F
Show InChI InChI=1S/C14H17F3N6O2S/c1-3-18-12-9(14(15,16)17)6-19-13(21-12)20-10-7-23(26(2,24)25)22-11(10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/an/an/a



Denali Therapautics Inc.

US Patent


Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


US Patent US10590114 (2020)

More data for this
Ligand-Target Pair