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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM139691'   
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))
BDBM139691
PNG
(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
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PC sid
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Similars

Article
PubMed
n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...


J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM139691
PNG
(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a<0.700n/an/an/an/a7.525



Pfizer Limited

US Patent


Assay Description
JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES fre...


US Patent US8895544 (2014)


BindingDB Entry DOI: 10.7270/Q2S46QNM
More data for this
Ligand-Target Pair