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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'JAK1 (866-1154)' and Ligand = 'BDBM264207'   
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
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 106n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair