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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50243839'   
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 JAK1


(Homo sapiens (Human))
BDBM50243839
PNG
(CHEMBL4099048)
Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12
Show InChI InChI=1/C15H20N6O2S/c1-21(15-13-4-6-17-14(13)18-10-19-15)12-8-11(9-12)20-24(22,23)7-3-2-5-16/h4,6,10-12,20H,2-3,7-9H2,1H3,(H,17,18,19)/t11-,12+
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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the Compound was tested against HIV protease enzyme.


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
More data for this
Ligand-Target Pair