BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50539844'   
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))
BDBM50539844
PNG
(CHEMBL4643061)
Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r|
Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
BindingDB Entry DOI: 10.7270/Q2JS9V08
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50539844
PNG
(CHEMBL4643061)
Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@@H]1CC#N)C2 |r|
Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10+,11-,12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
BindingDB Entry DOI: 10.7270/Q2JS9V08
More data for this
Ligand-Target Pair