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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM195836'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195836
PNG
(US9206188, 87 | US9834551, Example 87)
Show SMILES CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C17H12FN3O/c1-2-3-16(22)21-15-9-11(4-5-14(15)18)13-8-12-6-7-19-17(12)20-10-13/h4-10H,1H3,(H,19,20)(H,21,22)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...


US Patent US9206188 (2015)


BindingDB Entry DOI: 10.7270/Q2057DRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195836
PNG
(US9206188, 87 | US9834551, Example 87)
Show SMILES CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C17H12FN3O/c1-2-3-16(22)21-15-9-11(4-5-14(15)18)13-8-12-6-7-19-17(12)20-10-13/h4-10H,1H3,(H,19,20)(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair