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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 = 'BDBM50109518'   
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))
BDBM50109518
PNG
(CHEMBL3601722)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cc1
Show InChI InChI=1S/C25H29N7O/c1-3-25(33)30-21-6-4-5-19(15-21)17-26-23-16-24(28-18-27-23)29-20-7-9-22(10-8-20)32-13-11-31(2)12-14-32/h3-10,15-16,18H,1,11-14,17H2,2H3,(H,30,33)(H2,26,27,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse...


Bioorg Med Chem 27: 1646-1657 (2019)


Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109518
PNG
(CHEMBL3601722)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cc1
Show InChI InChI=1S/C25H29N7O/c1-3-25(33)30-21-6-4-5-19(15-21)17-26-23-16-24(28-18-27-23)29-20-7-9-22(10-8-20)32-13-11-31(2)12-14-32/h3-10,15-16,18H,1,11-14,17H2,2H3,(H,30,33)(H2,26,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair