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BDBM254932 US9499542, 15::US9675594, 15

SMILES: Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12

InChI Key: InChIKey=ANIYDVYTJUHGSI-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 254932   
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))
BDBM254932
PNG
(US9499542, 15 | US9675594, 15)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C24H25N7O/c1-16-11-17(3-4-18(16)15-31-7-9-32-10-8-31)20-12-22(27-21-5-6-30(2)29-21)28-24-23(20)19(13-25)14-26-24/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,26,27,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254932
PNG
(US9499542, 15 | US9675594, 15)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C24H25N7O/c1-16-11-17(3-4-18(16)15-31-7-9-32-10-8-31)20-12-22(27-21-5-6-30(2)29-21)28-24-23(20)19(13-25)14-26-24/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,26,27,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254932
PNG
(US9499542, 15 | US9675594, 15)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C24H25N7O/c1-16-11-17(3-4-18(16)15-31-7-9-32-10-8-31)20-12-22(27-21-5-6-30(2)29-21)28-24-23(20)19(13-25)14-26-24/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,26,27,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254932
PNG
(US9499542, 15 | US9675594, 15)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C24H25N7O/c1-16-11-17(3-4-18(16)15-31-7-9-32-10-8-31)20-12-22(27-21-5-6-30(2)29-21)28-24-23(20)19(13-25)14-26-24/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,26,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair