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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 = 'BDBM431902'   
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))
BDBM431902
PNG
(US10550118, Example 8-9 | US11453668, Example 8-9)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(C)Cc2[nH]1)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C29H32FN7O2/c1-6-16-10-25(38)20(30)11-19(16)17-7-8-18-21(9-17)33-34-26(18)27-31-22-12-24(36(5)13-23(22)32-27)28(39)37-14-29(2,15-37)35(3)4/h7-11,24,38H,6,12-15H2,1-5H3/b27-26-
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PC cid
PC sid
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US Patent
0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Assay 1: A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BG2S7Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM431902
PNG
(US10550118, Example 8-9 | US11453668, Example 8-9)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(C)Cc2[nH]1)C(=O)N1CC(C)(C1)N(C)C
Show InChI InChI=1S/C29H32FN7O2/c1-6-16-10-25(38)20(30)11-19(16)17-7-8-18-21(9-17)33-34-26(18)27-31-22-12-24(36(5)13-23(22)32-27)28(39)37-14-29(2,15-37)35(3)4/h7-11,24,38H,6,12-15H2,1-5H3/b27-26-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10550118 (2020)


BindingDB Entry DOI: 10.7270/Q25D8V88
More data for this
Ligand-Target Pair