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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM406676'   
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))
BDBM406676
PNG
(US10336752, Compound 15 | US11040967, Compound 15)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C23H18F2N4O2/c24-15-3-1-4-16(25)20(15)17-11-18(21-19(28-17)12-26-22(21)30)27-14-7-5-13(6-8-14)23(31)29-9-2-10-29/h1,3-8,11H,2,9-10,12H2,(H,26,30)(H,27,28)
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PC cid
PC sid
UniChem
US Patent
n/an/a 74.1n/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))
BDBM406676
PNG
(US10336752, Compound 15 | US11040967, Compound 15)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C23H18F2N4O2/c24-15-3-1-4-16(25)20(15)17-11-18(21-19(28-17)12-26-22(21)30)27-14-7-5-13(6-8-14)23(31)29-9-2-10-29/h1,3-8,11H,2,9-10,12H2,(H,26,30)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 74.1n/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