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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 = 'BDBM195798'   
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))
BDBM195798
PNG
(US9206188, 49 | US9834551, Example 49)
Show SMILES CN(C)\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]nc(C)c2c1
Show InChI InChI=1S/C18H18ClN5O/c1-11-14-8-13(10-20-18(14)23-22-11)12-4-5-15(19)16(9-12)21-17(25)6-7-24(2)3/h4-10H,1-3H3,(H,21,25)(H,20,22,23)/b7-6+
PDB

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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))
BDBM195798
PNG
(US9206188, 49 | US9834551, Example 49)
Show SMILES CN(C)\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]nc(C)c2c1
Show InChI InChI=1S/C18H18ClN5O/c1-11-14-8-13(10-20-18(14)23-22-11)12-4-5-15(19)16(9-12)21-17(25)6-7-24(2)3/h4-10H,1-3H3,(H,21,25)(H,20,22,23)/b7-6+
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