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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50166930   
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))
BDBM50166930
PNG
(CHEMBL3797848)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCCN1CCOCC1 |r|
Show InChI InChI=1S/C29H39N7O5/c1-19(33-28(39)41-29(2,3)4)26(37)34-21-9-7-20(8-10-21)24-22-17-23(35(5)25(22)32-18-31-24)27(38)30-11-6-12-36-13-15-40-16-14-36/h7-10,17-19H,6,11-16H2,1-5H3,(H,30,38)(H,33,39)(H,34,37)/t19-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged JAK2 expressed in baculovirus expression system using Z'-LYTE Try6 peptide as substrate incubated for 1 hr...


Bioorg Med Chem Lett 26: 2936-2941 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.027
BindingDB Entry DOI: 10.7270/Q2GB25ZS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50166930
PNG
(CHEMBL3797848)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCCN1CCOCC1 |r|
Show InChI InChI=1S/C29H39N7O5/c1-19(33-28(39)41-29(2,3)4)26(37)34-21-9-7-20(8-10-21)24-22-17-23(35(5)25(22)32-18-31-24)27(38)30-11-6-12-36-13-15-40-16-14-36/h7-10,17-19H,6,11-16H2,1-5H3,(H,30,38)(H,33,39)(H,34,37)/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in GMCSF-stimulated human TF1 cells assessed as suppression of STAT5 phosphorylation preincubated for 2 hrs followed by GMCSF stim...


Bioorg Med Chem Lett 26: 2936-2941 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.027
BindingDB Entry DOI: 10.7270/Q2GB25ZS
More data for this
Ligand-Target Pair