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BDBM50332301 (5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,6-difluorophenyl)methanone::CHEMBL1287971

SMILES: Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F

InChI Key: InChIKey=VWXZXMUTJDFDBX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50332301   
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))
BDBM50332301
PNG
((5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,...)
Show SMILES Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
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Article
PubMed
n/an/a 230n/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))
BDBM50332301
PNG
((5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,...)
Show SMILES Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 360n/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))
BDBM50332301
PNG
((5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,...)
Show SMILES Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.25E+3n/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