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2 similar compounds to monomer 50446985

Compile data set for download or QSAR
Wt: 383.3
BDBM50446986
Wt: 365.3
BDBM50446987

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50446986,50446987   
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))
BDBM50446986
PNG
(CHEMBL3116062)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc(F)cnc2n1)c1ncc(F)cn1
Show InChI InChI=1/C17H15F2N9/c1-9(14-20-5-11(19)6-21-14)24-17-26-15-12(3-10(18)4-22-15)16(27-17)25-13-7-28(2)8-23-13/h3-9H,1-2H3,(H2,22,24,25,26,27)/t9-/s2
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Article
PubMed
n/an/a 3.00E+4n/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 JAK2


(Homo sapiens (Human))
BDBM50446986
PNG
(CHEMBL3116062)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc(F)cnc2n1)c1ncc(F)cn1
Show InChI InChI=1/C17H15F2N9/c1-9(14-20-5-11(19)6-21-14)24-17-26-15-12(3-10(18)4-22-15)16(27-17)25-13-7-28(2)8-23-13/h3-9H,1-2H3,(H2,22,24,25,26,27)/t9-/s2
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n/an/a 490n/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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50446987
PNG
(CHEMBL3116061)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
Show InChI InChI=1/C17H16FN9/c1-10(14-20-6-11(18)7-21-14)23-17-25-15-12(4-3-5-19-15)16(26-17)24-13-8-27(2)9-22-13/h3-10H,1-2H3,(H2,19,23,24,25,26)
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n/an/a 131n/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))
BDBM50446987
PNG
(CHEMBL3116061)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
Show InChI InChI=1/C17H16FN9/c1-10(14-20-6-11(18)7-21-14)23-17-25-15-12(4-3-5-19-15)16(26-17)24-13-8-27(2)9-22-13/h3-10H,1-2H3,(H2,19,23,24,25,26)
PDB

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n/an/a 33n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50446987
PNG
(CHEMBL3116061)
Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
Show InChI InChI=1/C17H16FN9/c1-10(14-20-6-11(18)7-21-14)23-17-25-15-12(4-3-5-19-15)16(26-17)24-13-8-27(2)9-22-13/h3-10H,1-2H3,(H2,19,23,24,25,26)
PDB

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PC cid
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Article
PubMed
n/an/a 3.78E+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