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BDBM50426733 CHEMBL2322143

SMILES: C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12

InChI Key: InChIKey=BCJVFDDJSOEKKQ-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50426733   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human UT7 cells assessed as inhibition of Epo-dependent STAT5 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
PDB

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PC cid
PC sid
UniChem
Article
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
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PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
PDB
MMDB

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1000 uM ATP


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
PDB
MMDB

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair