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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM332942'   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332942
PNG
(US10196390, Compound I-231 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C24H20F2N4O3/c25-16-2-1-3-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-6-4-14(5-7-15)24(32)30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,27,31)(H,28,29)
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US Patent
<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332942
PNG
(US10196390, Compound I-231 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C24H20F2N4O3/c25-16-2-1-3-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-6-4-14(5-7-15)24(32)30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,27,31)(H,28,29)
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US Patent
n/an/a 134n/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Compounds were serially diluted in DMSO then further diluted in 1 kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...


US Patent US11040967 (2021)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332942
PNG
(US10196390, Compound I-231 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C24H20F2N4O3/c25-16-2-1-3-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-6-4-14(5-7-15)24(32)30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,27,31)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 134n/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...


US Patent US10336752 (2019)


BindingDB Entry DOI: 10.7270/Q28054Z6
More data for this
Ligand-Target Pair