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BDBM185527 US9156845, 181

SMILES: COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCCC(F)C3)c12

InChI Key: InChIKey=HWFMTSYUBSDCPK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 185527   
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))
BDBM185527
PNG
(US9156845, 181)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
Show InChI InChI=1S/C18H18F2N4O/c1-25-15-5-4-11(19)7-13(15)14-8-21-17-16(14)18(23-10-22-17)24-6-2-3-12(20)9-24/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,21,22,23)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 24n/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))
BDBM185527
PNG
(US9156845, 181)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
Show InChI InChI=1S/C18H18F2N4O/c1-25-15-5-4-11(19)7-13(15)14-8-21-17-16(14)18(23-10-22-17)24-6-2-3-12(20)9-24/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 22n/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