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SMILES: C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1

InChI Key: InChIKey=LGZHHNWKOWOUKT-VIFPVBQESA-N

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 3 hits for monomerid = 50446991   
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 JAK3


(Homo sapiens (Human))
BDBM50446991
PNG
(CHEMBL3116054)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H17FN10/c1-9(13-18-4-10(17)5-19-13)22-16-24-14(23-12-7-26(2)8-20-12)11-6-21-27(3)15(11)25-16/h4-9H,1-3H3,(H2,22,23,24,25)/t9-/m0/s1
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Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50446991
PNG
(CHEMBL3116054)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H17FN10/c1-9(13-18-4-10(17)5-19-13)22-16-24-14(23-12-7-26(2)8-20-12)11-6-21-27(3)15(11)25-16/h4-9H,1-3H3,(H2,22,23,24,25)/t9-/m0/s1
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak1 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50446991
PNG
(CHEMBL3116054)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cnn(C)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H17FN10/c1-9(13-18-4-10(17)5-19-13)22-16-24-14(23-12-7-26(2)8-20-12)11-6-21-27(3)15(11)25-16/h4-9H,1-3H3,(H2,22,23,24,25)/t9-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 144-58 (2014)


Article DOI: 10.1021/jm401546n
BindingDB Entry DOI: 10.7270/Q2CR5VTM
More data for this
Ligand-Target Pair