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BDBM50332303 (5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4-triazol-1-yl)(2,6-difluorophenyl)methanone::CHEMBL1288002

SMILES: CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1

InChI Key: InChIKey=ZGFGFQUPXGGIOJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50332303   
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 JAK1


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.026
BindingDB Entry DOI: 10.7270/Q22B901J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TYK2 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.026
BindingDB Entry DOI: 10.7270/Q22B901J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
PDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.026
BindingDB Entry DOI: 10.7270/Q22B901J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50332303
PNG
((5-amino-3-(4-(dimethylamino)phenylamino)-1H-1,2,4...)
Show SMILES CN(C)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H16F2N6O/c1-24(2)11-8-6-10(7-9-11)21-17-22-16(20)25(23-17)15(26)14-12(18)4-3-5-13(14)19/h3-9H,1-2H3,(H3,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 by TR-FRET assay


Bioorg Med Chem Lett 20: 7454-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.026
BindingDB Entry DOI: 10.7270/Q22B901J
More data for this
Ligand-Target Pair