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BDBM50446982 CHEMBL3116050

SMILES: C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1

InChI Key: InChIKey=QHXBWJSQXSYAGG-VIFPVBQESA-N

Data: 24 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 24 hits for monomerid = 50446982   
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1


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
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6 X His-tagged full length CK2alpha expressed in insect sf21 cells using CK2tide as substrate after 20 mins by fluore...


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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CK2alpha2


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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human KDR


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
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta


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))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a<2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK2


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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Flt4


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))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a<3n/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 JAK3


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 220n/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))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a<3n/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
Serine/threonine-protein kinase SIK1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human SIK


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
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human LIMK1


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
Aurora kinase A


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human aurora A kinase


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ALK


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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Ret


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 receptor FLT3


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Flt3


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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TrkA


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))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK3


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 ABL1


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Abl


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
Non-receptor tyrosine-protein kinase TYK2


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 in mouse BA/F3 cells expressing TEL-Tyk2 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis


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


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak3 in mouse BA/F3 cells expressing TEL-Jak3 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis


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


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak2 in mouse BA/F3 cells expressing TEL-Jak2 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis


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


(Mus musculus)
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Jak1 in mouse BA/F3 cells expressing TEL-Jak1 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis


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
SRC


(Homo sapiens (Human))
BDBM50446982
PNG
(CHEMBL3116050)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
Show InChI InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Fgr


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