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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cytoplasmic tyrosine-protein kinase BMX' and Ligand = 'BDBM50236044'   
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
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50236044
PNG
(CHEMBL4066104)
Show SMILES CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
Show InChI InChI=1S/C33H35N7O6/c1-8-28(41)38-24-16-22(12-10-18(24)2)37-33-35-17-23(30(34-4)40-33)32(43)39-25-15-21(11-9-19(25)3)36-31(42)20-13-26(44-5)29(46-7)27(14-20)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40)
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n/an/a 11n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system using Poly(4:1 Glu, Tyr) as substrate after 1 h...


J Med Chem 60: 1793-1816 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01413
BindingDB Entry DOI: 10.7270/Q2GH9M74
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50236044
PNG
(CHEMBL4066104)
Show SMILES CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
Show InChI InChI=1S/C33H35N7O6/c1-8-28(41)38-24-16-22(12-10-18(24)2)37-33-35-17-23(30(34-4)40-33)32(43)39-25-15-21(11-9-19(25)3)36-31(42)20-13-26(44-5)29(46-7)27(14-20)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40)
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n/an/a 11n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of BMX (unknown origin)


Eur J Med Chem 142: 493-505 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.024
BindingDB Entry DOI: 10.7270/Q2N87DG5
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50236044
PNG
(CHEMBL4066104)
Show SMILES CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
Show InChI InChI=1S/C33H35N7O6/c1-8-28(41)38-24-16-22(12-10-18(24)2)37-33-35-17-23(30(34-4)40-33)32(43)39-25-15-21(11-9-19(25)3)36-31(42)20-13-26(44-5)29(46-7)27(14-20)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40)
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n/an/an/a 81n/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to inactive state of full length fluorescent labeled human BMX (1 to 675 amino acid residues) expressed in bacterial expression syst...


J Med Chem 60: 1793-1816 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01413
BindingDB Entry DOI: 10.7270/Q2GH9M74
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50236044
PNG
(CHEMBL4066104)
Show SMILES CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
Show InChI InChI=1S/C33H35N7O6/c1-8-28(41)38-24-16-22(12-10-18(24)2)37-33-35-17-23(30(34-4)40-33)32(43)39-25-15-21(11-9-19(25)3)36-31(42)20-13-26(44-5)29(46-7)27(14-20)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40)
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Article
PubMed
n/an/an/a 1.02E+4n/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to active state of full length fluorescent labeled human BMX (1 to 675 amino acid residues) expressed in bacterial expression system...


J Med Chem 60: 1793-1816 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01413
BindingDB Entry DOI: 10.7270/Q2GH9M74
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50236044
PNG
(CHEMBL4066104)
Show SMILES CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
Show InChI InChI=1S/C33H35N7O6/c1-8-28(41)38-24-16-22(12-10-18(24)2)37-33-35-17-23(30(34-4)40-33)32(43)39-25-15-21(11-9-19(25)3)36-31(42)20-13-26(44-5)29(46-7)27(14-20)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40)
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Article
PubMed
n/an/an/an/a 5.80n/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Irreversible inhibition of inactive state of wild-type full-length recombinant His-tagged BMX phosphorylation (unknown origin) at tyrosine residue ex...


J Med Chem 60: 1793-1816 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01413
BindingDB Entry DOI: 10.7270/Q2GH9M74
More data for this
Ligand-Target Pair