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SMILES: CNc1nc(Nc2ccccc2OC)ncc1Cl

InChI Key: InChIKey=AGIGZRMODPEFNF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50396155   
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


(Homo sapiens (Human))
BDBM50396155
PNG
(CHEMBL2171738)
Show SMILES CNc1nc(Nc2ccccc2OC)ncc1Cl
Show InChI InChI=1S/C12H13ClN4O/c1-14-11-8(13)7-15-12(17-11)16-9-5-3-4-6-10(9)18-2/h3-7H,1-2H3,(H2,14,15,16,17)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6n/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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50396155
PNG
(CHEMBL2171738)
Show SMILES CNc1nc(Nc2ccccc2OC)ncc1Cl
Show InChI InChI=1S/C12H13ClN4O/c1-14-11-8(13)7-15-12(17-11)16-9-5-3-4-6-10(9)18-2/h3-7H,1-2H3,(H2,14,15,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>3.20E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2


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