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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2' and Ligand = 'BDBM50428693'   
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))
BDBM50428693
PNG
(CHEMBL2333123 | US9884828, 12-231)
Show SMILES CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)-c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H24N4O3S/c1-13(14-4-5-14)24-20-18-11-8-16(12-19(18)25-26-21(20)22(27)23-2)15-6-9-17(10-7-15)30(3,28)29/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,25)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 168n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50428693
PNG
(CHEMBL2333123 | US9884828, 12-231)
Show SMILES CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)-c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H24N4O3S/c1-13(14-4-5-14)24-20-18-11-8-16(12-19(18)25-26-21(20)22(27)23-2)15-6-9-17(10-7-15)30(3,28)29/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,25)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 170n/an/an/an/a7.525



Imago Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...


US Patent US9884828 (2018)


BindingDB Entry DOI: 10.7270/Q2NG4SNW
More data for this
Ligand-Target Pair