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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM325374'   
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 JAK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
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n/an/a<10n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
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n/an/a<10n/an/an/an/an/an/a



ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
PDB

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n/an/a<10n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair