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BDBM185414 US9156845, 58

SMILES: C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12

InChI Key: InChIKey=JVZPSXHVFCDWFE-LBPRGKRZSA-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 = 185414   
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))
BDBM185414
PNG
(US9156845, 58)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C18H20N4O/c1-12-4-3-7-22(10-12)18-16-15(9-19-17(16)20-11-21-18)13-5-2-6-14(23)8-13/h2,5-6,8-9,11-12,23H,3-4,7,10H2,1H3,(H,19,20,21)/t12-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/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))
BDBM185414
PNG
(US9156845, 58)
Show SMILES C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C18H20N4O/c1-12-4-3-7-22(10-12)18-16-15(9-19-17(16)20-11-21-18)13-5-2-6-14(23)8-13/h2,5-6,8-9,11-12,23H,3-4,7,10H2,1H3,(H,19,20,21)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/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