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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2' and Ligand = 'BDBM482160'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
PDB

KEGG

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UniChem
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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2


J Med Chem 55: 5536-45 (2012)


Article DOI: 10.1021/jm300452p
BindingDB Entry DOI: 10.7270/Q2RR20CQ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Charles River

Curated by ChEMBL


Assay Description
Inhibition of full length wild-type LRRK2 (unknown origin) using biotinylated ezrin/radaxin/meosin peptide as substrate measured after 1 hr


Bioorg Med Chem Lett 27: 2520-2527 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.098
BindingDB Entry DOI: 10.7270/Q2474D0R
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 expressed in HEK293 cells using nictide as substrate and [gamma32P]ATP after 15 mins by Cerenkov counting method


ACS Med Chem Lett 3: 658-662 (2012)


Article DOI: 10.1021/ml300123a
BindingDB Entry DOI: 10.7270/Q2FF3TF1
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of LRRK2 in human HEK293 cells


J Med Chem 55: 9416-33 (2012)


Article DOI: 10.1021/jm301020q
BindingDB Entry DOI: 10.7270/Q2P55PN7
More data for this
Ligand-Target Pair