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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 = 'BDBM406679'   
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))
BDBM406679
PNG
(US10336752, Compound 17 | US10968236, Compound I-6...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1
Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+
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US Patent
<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Tyk2 & JAK2: The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using micro...


US Patent US10968236 (2021)

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


(Homo sapiens (Human))
BDBM406679
PNG
(US10336752, Compound 17 | US10968236, Compound I-6...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1
Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+
PDB

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US Patent
n/an/a 88.6n/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))
BDBM406679
PNG
(US10336752, Compound 17 | US10968236, Compound I-6...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1
Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 88.6n/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