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PubMed code 28056160

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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 BTK


(Homo sapiens (Human))
BDBM225238
PNG
(BTK inhibitor, 3)
Show SMILES CNC(=O)[C@H]1Cc2c(CN1C(=O)c1occc1CNc1ccc3nccnc3c1)[nH]c1ccccc21 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.550n/an/an/an/an/a30



X-Chem Pharmaceuticals



Assay Description
The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...


Chembiochem 18: 864-871 (2017)


Article DOI: 10.1002/cbic.201600573
BindingDB Entry DOI: 10.7270/Q22J69Q5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM225237
PNG
(BTK inhibitor, 2)
Show SMILES CNC(=O)Cc1cccc(NC(=O)c2n[nH]cc2CNc2ccccc2[C@H](O)c2ccccc2)c1 |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 210n/an/an/an/an/a30



X-Chem Pharmaceuticals



Assay Description
The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...


Chembiochem 18: 864-871 (2017)


Article DOI: 10.1002/cbic.201600573
BindingDB Entry DOI: 10.7270/Q22J69Q5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM225236
PNG
(BTK inhibitor, 1)
Show SMILES CNC(=O)C(Cc1c[nH]c2ncccc12)NC(=O)c1n[nH]c2cccc(CNc3ccc(O)cc3Cl)c12 |w:4.4|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/a30



X-Chem Pharmaceuticals



Assay Description
The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...


Chembiochem 18: 864-871 (2017)


Article DOI: 10.1002/cbic.201600573
BindingDB Entry DOI: 10.7270/Q22J69Q5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%