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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM332882'   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332882
PNG
(US10196390, Compound I-171 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332882
PNG
(US10196390, Compound I-171 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM332882
PNG
(US10196390, Compound I-171 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332882
PNG
(US10196390, Compound I-171 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B6383
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332882
PNG
(US10196390, Compound I-171 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 15: 983-7 (2005)


Article DOI: 10.1016/j.bmcl.2022.128891
BindingDB Entry DOI: 10.7270/Q2P84GV3
More data for this
Ligand-Target Pair