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Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'nickerson-nutter' and Initial = 'cl'   
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))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate preincubated for 60 mins measured after 60 mins by ...


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357313
PNG
(CHEMBL1916712)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCOCC1
Show InChI InChI=1S/C26H26N6O3/c1-18-6-3-4-7-19(18)29-26-23-16-27-17-32(23)22-14-21(24(34-2)15-20(22)30-26)28-25(33)8-5-9-31-10-12-35-13-11-31/h3-4,6-7,14-17H,9-13H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 0.847n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357314
PNG
(CHEMBL1916713)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCCCC1
Show InChI InChI=1S/C27H28N6O2/c1-19-9-4-5-10-20(19)30-27-24-17-28-18-33(24)23-15-22(25(35-2)16-21(23)31-27)29-26(34)11-8-14-32-12-6-3-7-13-32/h4-5,9-10,15-18H,3,6-7,12-14H2,1-2H3,(H,29,34)(H,30,31)
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n/an/a 0.847n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357316
PNG
(CHEMBL1916715)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H26N6O2/c1-16-8-5-6-9-17(16)27-24-21-14-25-15-30(21)20-12-19(22(32-4)13-18(20)28-24)26-23(31)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,26,31)(H,27,28)/b10-7+
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n/an/a 0.884n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR preincubated for 60 mins measured after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 1.53n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BMX relative to control


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357321
PNG
(CHEMBL1916879)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C32H30F3N7O2/c1-20-10-11-23(37-31(44)21-7-5-8-22(15-21)32(33,34)35)16-26(20)39-30-28-18-36-19-42(28)27-17-24(12-13-25(27)38-30)41(4)29(43)9-6-14-40(2)3/h5-13,15-19H,14H2,1-4H3,(H,37,44)(H,38,39)/b9-6+
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n/an/a 1.55n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357330
PNG
(CHEMBL1916888)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(O)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H26N6O2/c1-16-7-9-18(31)13-20(16)27-24-22-14-25-15-30(22)21-12-17(8-10-19(21)26-24)29(4)23(32)6-5-11-28(2)3/h5-10,12-15,31H,11H2,1-4H3,(H,26,27)/b6-5+
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n/an/a 1.55n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357334
PNG
(CHEMBL1916892)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1Cl)c1cncn21
Show InChI InChI=1S/C23H22ClFN6O/c1-29(2)10-6-9-22(32)30(3)19-12-20-18(11-16(19)25)28-23(21-13-26-14-31(20)21)27-17-8-5-4-7-15(17)24/h4-9,11-14H,10H2,1-3H3,(H,27,28)/b9-6+
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n/an/a 1.82n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357324
PNG
(CHEMBL1916882)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(F)c3C)c3cncn3c2c1
Show InChI InChI=1S/C24H25FN6O/c1-16-18(25)7-5-8-19(16)27-24-22-14-26-15-31(22)21-13-17(10-11-20(21)28-24)30(4)23(32)9-6-12-29(2)3/h5-11,13-15H,12H2,1-4H3,(H,27,28)/b9-6+
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n/an/a 1.89n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 1.93n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357315
PNG
(CHEMBL1916714)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C(=C)CN1CCOCC1
Show InChI InChI=1S/C26H28N6O3/c1-17-6-4-5-7-19(17)28-25-23-14-27-16-32(23)22-12-21(24(34-3)13-20(22)29-25)30-26(33)18(2)15-31-8-10-35-11-9-31/h4-7,12-14,16H,2,8-11,15H2,1,3H3,(H,28,29)(H,30,33)
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n/an/a 2.52n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357339
PNG
(CHEMBL1916897)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21
Show InChI InChI=1S/C24H24ClFN6O/c1-15-7-8-16(26)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate preincubated for 60 mins measured after 60 mins by ...


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357323
PNG
(CHEMBL1916881)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(F)cc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H25FN6O/c1-16-12-17(25)7-9-19(16)27-24-22-14-26-15-31(22)21-13-18(8-10-20(21)28-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
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n/an/a 2.96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 3.31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK relative to control


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357322
PNG
(CHEMBL1916880)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H25FN6O/c1-16-7-8-17(25)12-20(16)28-24-22-14-26-15-31(22)21-13-18(9-10-19(21)27-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
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n/an/a 3.33n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50357339
PNG
(CHEMBL1916897)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21
Show InChI InChI=1S/C24H24ClFN6O/c1-15-7-8-16(26)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+
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n/an/a 3.35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR preincubated for 60 mins measured after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357339
PNG
(CHEMBL1916897)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21
Show InChI InChI=1S/C24H24ClFN6O/c1-15-7-8-16(26)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+
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n/an/a 3.98n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357319
PNG
(CHEMBL1916718)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccccc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H26N6O/c1-17-8-5-6-9-19(17)26-24-22-15-25-16-30(22)21-14-18(11-12-20(21)27-24)29(4)23(31)10-7-13-28(2)3/h5-12,14-16H,13H2,1-4H3,(H,26,27)/b10-7+
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n/an/a 3.99n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357337
PNG
(CHEMBL1916895)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25ClN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 4.83n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357338
PNG
(CHEMBL1916896)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1Cl)c1cncn21
Show InChI InChI=1S/C23H22Cl2N6O/c1-29(2)10-6-9-22(32)30(3)19-12-20-18(11-16(19)25)28-23(21-13-26-14-31(20)21)27-17-8-5-4-7-15(17)24/h4-9,11-14H,10H2,1-3H3,(H,27,28)/b9-6+
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n/an/a 5.03n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357336
PNG
(CHEMBL1916894)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccc(F)cc1C)c1cncn21
Show InChI InChI=1S/C24H24F2N6O/c1-15-10-16(25)7-8-18(15)28-24-22-13-27-14-32(22)21-12-20(17(26)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+
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n/an/a 5.35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357341
PNG
(CHEMBL1916899)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H24FN5O2/c1-16-8-5-6-9-22(16)32-24-21-14-26-15-30(21)20-13-19(17(25)12-18(20)27-24)29(4)23(31)10-7-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b10-7+
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n/an/a 5.51n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ErbB1 relative to control


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357344
PNG
(CHEMBL1916902)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Oc3ccc(F)cc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H24FN5O2/c1-16-12-17(25)7-10-22(16)32-24-21-14-26-15-30(21)20-13-18(8-9-19(20)27-24)29(4)23(31)6-5-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b6-5+
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n/an/a 6.58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357335
PNG
(CHEMBL1916893)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1cc(F)ccc1C)c1cncn21
Show InChI InChI=1S/C24H24F2N6O/c1-15-7-8-16(25)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(26)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+
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n/an/a 6.76n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357327
PNG
(CHEMBL1916885)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(Cl)cc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H25ClN6O/c1-16-12-17(25)7-9-19(16)27-24-22-14-26-15-31(22)21-13-18(8-10-20(21)28-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
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n/an/a 7.56n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357340
PNG
(CHEMBL1916898)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccc(F)cc1C)c1cncn21
Show InChI InChI=1S/C24H24ClFN6O/c1-15-10-16(26)7-8-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+
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n/an/a 9.53n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357343
PNG
(CHEMBL1916901)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccc(F)cc1C)c1cncn21
Show InChI InChI=1S/C24H23F2N5O2/c1-15-10-16(25)7-8-22(15)33-24-21-13-27-14-31(21)20-12-19(17(26)11-18(20)28-24)30(4)23(32)6-5-9-29(2)3/h5-8,10-14H,9H2,1-4H3/b6-5+
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n/an/a 9.53n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357325
PNG
(CHEMBL1916883)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C24H25ClN6O/c1-16-7-5-8-18(25)23(16)28-24-21-14-26-15-31(21)20-13-17(10-11-19(20)27-24)30(4)22(32)9-6-12-29(2)3/h5-11,13-15H,12H2,1-4H3,(H,27,28)/b9-6+
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n/an/a 10.3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357329
PNG
(CHEMBL1916887)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3O)c3cncn3c2c1
Show InChI InChI=1S/C24H26N6O2/c1-16-7-5-8-21(31)23(16)27-24-20-14-25-15-30(20)19-13-17(10-11-18(19)26-24)29(4)22(32)9-6-12-28(2)3/h5-11,13-15,31H,12H2,1-4H3,(H,26,27)/b9-6+
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n/an/a 10.4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357330
PNG
(CHEMBL1916888)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(O)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H26N6O2/c1-16-7-9-18(31)13-20(16)27-24-22-14-25-15-30(22)21-12-17(8-10-19(21)26-24)29(4)23(32)6-5-11-28(2)3/h5-10,12-15,31H,11H2,1-4H3,(H,26,27)/b6-5+
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n/an/a 10.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357316
PNG
(CHEMBL1916715)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H26N6O2/c1-16-8-5-6-9-17(16)27-24-21-14-25-15-30(21)20-12-19(22(32-4)13-18(20)28-24)26-23(31)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,26,31)(H,27,28)/b10-7+
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n/an/a 10.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357331
PNG
(CHEMBL1916889)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(O)cc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H26N6O2/c1-16-12-18(31)8-10-19(16)26-24-22-14-25-15-30(22)21-13-17(7-9-20(21)27-24)29(4)23(32)6-5-11-28(2)3/h5-10,12-15,31H,11H2,1-4H3,(H,26,27)/b6-5+
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n/an/a 12.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357342
PNG
(CHEMBL1916900)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1cc(F)ccc1C)c1cncn21
Show InChI InChI=1S/C24H23F2N5O2/c1-15-7-8-16(25)10-22(15)33-24-21-13-27-14-31(21)20-12-19(17(26)11-18(20)28-24)30(4)23(32)6-5-9-29(2)3/h5-8,10-14H,9H2,1-4H3/b6-5+
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357326
PNG
(CHEMBL1916884)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(Cl)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H25ClN6O/c1-16-7-8-17(25)12-20(16)28-24-22-14-26-15-31(22)21-13-18(9-10-19(21)27-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
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n/an/a 13.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BLK relative to control


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357321
PNG
(CHEMBL1916879)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C32H30F3N7O2/c1-20-10-11-23(37-31(44)21-7-5-8-22(15-21)32(33,34)35)16-26(20)39-30-28-18-36-19-42(28)27-17-24(12-13-25(27)38-30)41(4)29(43)9-6-14-40(2)3/h5-13,15-19H,14H2,1-4H3,(H,37,44)(H,38,39)/b9-6+
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n/an/a 16.8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 17.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357348
PNG
(CHEMBL1916906)
Show SMILES CNc1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C18H16FN5/c1-11-5-3-4-6-13(11)22-18-17-9-21-10-24(17)16-8-14(20-2)12(19)7-15(16)23-18/h3-10,20H,1-2H3,(H,22,23)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357318
PNG
(CHEMBL1916717)
Show SMILES CCN(C(=O)\C=C\CN(C)C)c1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C26H30N6O2/c1-6-31(25(33)12-9-13-30(3)4)22-15-21-20(14-24(22)34-5)29-26(23-16-27-17-32(21)23)28-19-11-8-7-10-18(19)2/h7-12,14-17H,6,13H2,1-5H3,(H,28,29)/b12-9+
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n/an/a 19.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357314
PNG
(CHEMBL1916713)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCCCC1
Show InChI InChI=1S/C27H28N6O2/c1-19-9-4-5-10-20(19)30-27-24-17-28-18-33(24)23-15-22(25(35-2)16-21(23)31-27)29-26(34)11-8-14-32-12-6-3-7-13-32/h4-5,9-10,15-18H,3,6-7,12-14H2,1-2H3,(H,29,34)(H,30,31)
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n/an/a 21.3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357346
PNG
(CHEMBL1916904)
Show SMILES CNc1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C18H16FN5/c1-11-3-4-12(19)7-15(11)23-18-17-9-21-10-24(17)16-8-13(20-2)5-6-14(16)22-18/h3-10,20H,1-2H3,(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357348
PNG
(CHEMBL1916906)
Show SMILES CNc1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C18H16FN5/c1-11-5-3-4-6-13(11)22-18-17-9-21-10-24(17)16-8-14(20-2)12(19)7-15(16)23-18/h3-10,20H,1-2H3,(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 43.7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERBB4 relative to control


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357325
PNG
(CHEMBL1916883)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
Show InChI InChI=1S/C24H25ClN6O/c1-16-7-5-8-18(25)23(16)28-24-21-14-26-15-31(21)20-13-17(10-11-19(20)27-24)30(4)22(32)9-6-12-29(2)3/h5-11,13-15H,12H2,1-4H3,(H,27,28)/b9-6+
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n/an/a 44.4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357317
PNG
(CHEMBL1916716)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1N(CC1CC1)C(=O)\C=C\CN(C)C
Show InChI InChI=1S/C28H32N6O2/c1-19-8-5-6-9-21(19)30-28-25-16-29-18-34(25)23-15-24(26(36-4)14-22(23)31-28)33(17-20-11-12-20)27(35)10-7-13-32(2)3/h5-10,14-16,18,20H,11-13,17H2,1-4H3,(H,30,31)/b10-7+
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n/an/a 45.3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50357313
PNG
(CHEMBL1916712)
Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCOCC1
Show InChI InChI=1S/C26H26N6O3/c1-18-6-3-4-7-19(18)29-26-23-16-27-17-32(23)22-14-21(24(34-2)15-20(22)30-26)28-25(33)8-5-9-31-10-12-35-13-11-31/h3-4,6-7,14-17H,9-13H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 46.6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/a 48n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK autophosphorylation at PY223 in human Ramos B cells after 20 mins by Western blot analysis


Bioorg Med Chem Lett 21: 6258-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.008
BindingDB Entry DOI: 10.7270/Q21836XD
More data for this
Ligand-Target Pair
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