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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2 [828-1132]' and Ligand = 'BDBM400522'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2 [828-1132]


(Homo sapiens (Human))
BDBM400522
PNG
(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132]


(Homo sapiens (Human))
BDBM400522
PNG
(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings Cororation

US Patent




US Patent US11285140 (2022)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132]


(Homo sapiens (Human))
BDBM400522
PNG
(US10695337, Example 278 | US11285140, Example 278 ...)
Show SMILES Fc1ccc(F)c(c1)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1ccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H25F2N7O/c28-19-1-2-23(29)22(13-19)26(37)34-10-5-20(6-11-34)35-15-27(16-35,7-8-30)36-12-4-18(14-36)24-21-3-9-31-25(21)33-17-32-24/h1-4,9,12-14,17,20H,5-7,10-11,15-16H2,(H,31,32,33)
PDB
MMDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using ba...


US Patent US10695337 (2020)

More data for this
Ligand-Target Pair