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Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM412674'   
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))
BDBM412674
PNG
(US10399979, Compound 17a)
Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)
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Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method


J Med Chem 61: 10440-10462 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00510
BindingDB Entry DOI: 10.7270/Q2BR8VVW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM412674
PNG
(US10399979, Compound 17a)
Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)
PDB

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antibodypedia
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AffyNet 
UniChem
US Patent
n/an/a 4.23n/an/an/an/an/an/a



Purdue Research Foundation

US Patent


Assay Description
Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...


US Patent US10399979 (2019)


BindingDB Entry DOI: 10.7270/Q29G5Q52
More data for this
Ligand-Target Pair