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SMILES: Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N

InChI Key: InChIKey=GHCVWXARSBELBT-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 6 hits for monomerid = 384363   
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))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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