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SMILES: CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F

InChI Key: InChIKey=UCLRBNKFQCMHFM-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 = 384297   
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))
BDBM384297
PNG
(US10590114, No. 7 | US11111235, No. 7 | US9932325,...)
Show SMILES CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H18F3N7/c1-10-12(4-24-27(10)9-16-5-15(6-16,7-16)8-21)25-14-23-3-11(17(18,19)20)13(22-2)26-14/h3-4H,5-7,9H2,1-2H3,(H2,22,23,25,26)
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))
BDBM384297
PNG
(US10590114, No. 7 | US11111235, No. 7 | US9932325,...)
Show SMILES CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H18F3N7/c1-10-12(4-24-27(10)9-16-5-15(6-16,7-16)8-21)25-14-23-3-11(17(18,19)20)13(22-2)26-14/h3-4H,5-7,9H2,1-2H3,(H2,22,23,25,26)
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))
BDBM384297
PNG
(US10590114, No. 7 | US11111235, No. 7 | US9932325,...)
Show SMILES CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H18F3N7/c1-10-12(4-24-27(10)9-16-5-15(6-16,7-16)8-21)25-14-23-3-11(17(18,19)20)13(22-2)26-14/h3-4H,5-7,9H2,1-2H3,(H2,22,23,25,26)
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