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BDBM50059353 CHEMBL3393343::US9156845, 12

SMILES: N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12

InChI Key: InChIKey=JZYGFRYCZUEFLK-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50059353   
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 (LRRK2)


(Homo sapiens (Human))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 6n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 28n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059353
PNG
(CHEMBL3393343 | US9156845, 12)
Show SMILES N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
Show InChI InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 182n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair