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2 similar compounds to monomer 185558

Compile data set for download or QSAR
Wt: 306.3
BDBM50059417
Wt: 306.3
BDBM50059418

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50059417,50059418   
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))
BDBM50059417
PNG
(CHEMBL3393361)
Show SMILES N#Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14N6O/c17-6-11-5-12(8-18-7-11)13-9-19-15-14(13)16(21-10-20-15)22-1-3-23-4-2-22/h5,7-10H,1-4H2,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60E+3n/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))
BDBM50059418
PNG
(CHEMBL3393360)
Show SMILES N#Cc1cc(ccn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14N6O/c17-8-12-7-11(1-2-18-12)13-9-19-15-14(13)16(21-10-20-15)22-3-5-23-6-4-22/h1-2,7,9-10H,3-6H2,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 686n/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))
BDBM50059417
PNG
(CHEMBL3393361)
Show SMILES N#Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14N6O/c17-6-11-5-12(8-18-7-11)13-9-19-15-14(13)16(21-10-20-15)22-1-3-23-4-2-22/h5,7-10H,1-4H2,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.24E+3n/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))
BDBM50059418
PNG
(CHEMBL3393360)
Show SMILES N#Cc1cc(ccn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14N6O/c17-8-12-7-11(1-2-18-12)13-9-19-15-14(13)16(21-10-20-15)22-3-5-23-6-4-22/h1-2,7,9-10H,3-6H2,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.51E+3n/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