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BDBM50303050 (S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-methoxy-1H-pyrazol-3-yl)pyrazine-2,6-diamine::CHEMBL570464

SMILES: COc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1

InChI Key: InChIKey=DHOIHSCVDFPCPW-VIFPVBQESA-N

Data: 2 IC50

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 2 hits for monomerid = 50303050   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303050
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-metho...)
Show SMILES COc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
Show InChI InChI=1S/C15H16FN7O/c1-9(11-4-3-10(16)6-18-11)19-13-7-17-8-14(21-13)20-12-5-15(24-2)23-22-12/h3-9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303050
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-metho...)
Show SMILES COc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
Show InChI InChI=1S/C15H16FN7O/c1-9(11-4-3-10(16)6-18-11)19-13-7-17-8-14(21-13)20-12-5-15(24-2)23-22-12/h3-9H,1-2H3,(H3,19,20,21,22,23)/t9-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair