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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50557487'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Tyrosine-protein kinase BTK
(Homo sapiens (Human))
BDBM50557487
(Tolebrutinib)
Show SMILES
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI
PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.700
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human BTK in human microglia cells
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.127862
BindingDB Entry DOI:
10.7270/Q21V5JNK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK
(Homo sapiens (Human))
BDBM50557487
(Tolebrutinib)
Show SMILES
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00926
BindingDB Entry DOI:
10.7270/Q23B641C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK
(Homo sapiens (Human))
BDBM50557487
(Tolebrutinib)
Show SMILES
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01511
BindingDB Entry DOI:
10.7270/Q22Z19M2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK
(Homo sapiens (Human))
BDBM50557487
(Tolebrutinib)
Show SMILES
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
n/a
n/a
6.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK
(Homo sapiens (Human))
BDBM50557487
(Tolebrutinib)
Show SMILES
Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.40
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to wild-type human full length BTK (M1 to S659 residues) expressed in mammalian expression system by Kinomescan method
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00926
BindingDB Entry DOI:
10.7270/Q23B641C
More data for this
Ligand-Target Pair
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