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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM322632'   
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 JAK2


(Homo sapiens (Human))
BDBM322632
PNG
(US10183942, Example 3 | US10183942, Example 3-30)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)C1=NC2CN(CCC2N1)C1CN(C1)C(C)C |t:22|
Show InChI InChI=1S/C27H33FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,22,24,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
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PC cid
PC sid
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM322632
PNG
(US10183942, Example 3 | US10183942, Example 3-30)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)C1=NC2CN(CCC2N1)C1CN(C1)C(C)C |t:22|
Show InChI InChI=1S/C27H33FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,22,24,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair