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SMILES: CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12

InChI Key:

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 5 hits for monomerid = 50583984   
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
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human LRRK2 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 4


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 122n/an/an/an/an/an/a


TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK4 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM50583984
PNG
(CHEMBL5089935)
Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 139n/an/an/an/an/an/a


TBA

Assay Description
Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK3 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8
More data for this
Ligand-Target Pair