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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50587594'   
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 ITK/TSK


(Homo sapiens (Human))
BDBM50587594
PNG
(CHEMBL5082562 | US11661419, Example 18 | US2023028...)
Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(CC)cc2[nH]1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ITK (unknown origin) using BTK peptide as substrate preincubated for 30 mins followed by addition of substrate and measured after 60 mi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00619
BindingDB Entry DOI: 10.7270/Q2736VT6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50587594
PNG
(CHEMBL5082562 | US11661419, Example 18 | US2023028...)
Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(CC)cc2[nH]1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2J96BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50587594
PNG
(CHEMBL5082562 | US11661419, Example 18 | US2023028...)
Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(CC)cc2[nH]1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2M049K2
More data for this
Ligand-Target Pair