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Compile Data Set for Download or QSAR

Found 73 hits of ic50 data for polymerid = 50006599   
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


(Mus musculus)
BDBM202131
PNG
(US9233983, I-2)
Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C37H37FN6O3/c1-42-11-13-43(14-12-42)21-23-5-8-31(40-20-23)32-19-28-27(9-10-39-36(28)41-32)26-3-2-4-33(29(26)22-45)44-15-16-47-34-18-25(24-6-7-24)17-30(38)35(34)37(44)46/h2-5,8-10,17-20,24,45H,6-7,11-16,21-22H2,1H3,(H,39,41)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202199
PNG
(US9233983, P-14)
Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C34H34FN5O4/c1-38(2)34(43)39-12-9-21(10-13-39)28-18-25-24(8-11-36-32(25)37-28)23-4-3-5-29(26(23)19-41)40-14-15-44-30-17-22(20-6-7-20)16-27(35)31(30)33(40)42/h3-5,8-9,11,16-18,20,41H,6-7,10,12-15,19H2,1-2H3,(H,36,37)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM111998
PNG
(US8618107, 312)
Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO
Show InChI InChI=1S/C37H42N6O4S/c1-37(2)16-28-27-9-10-43(36(46)34(27)48-32(28)17-37)31-6-4-5-26(29(31)20-44)23-15-30(35(45)40(3)19-23)39-33-8-7-24(18-38-33)41-11-13-42(14-12-41)25-21-47-22-25/h4-8,15,18-19,25,44H,9-14,16-17,20-22H2,1-3H3,(H,38,39)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202122
PNG
(US9233983, D-14)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C37H37FN6O4/c38-31-14-23(22-4-5-22)15-34-35(31)37(46)43(12-13-48-34)33-3-1-2-27(30(33)19-45)28-6-9-39-36-29(28)16-32(41-36)24-17-40-44(18-24)25-7-10-42(11-8-25)26-20-47-21-26/h1-3,6,9,14-18,22,25-26,45H,4-5,7-8,10-13,19-21H2,(H,39,41)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202141
PNG
(US9233983, I-12)
Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM111952
PNG
(US8618107, 210)
Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCn3c4CCCCc4cc3C2=O)c1CO
Show InChI InChI=1S/C36H40FN7O4/c1-40-19-24(14-30(35(40)46)39-34-7-6-26(18-38-34)41-8-10-42(11-9-41)27-21-48-22-27)28-16-25(37)17-32(29(28)20-45)44-13-12-43-31-5-3-2-4-23(31)15-33(43)36(44)47/h6-7,14-19,27,45H,2-5,8-13,20-22H2,1H3,(H,38,39)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202130
PNG
(US9233983, I-1)
Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C37H38N6O3/c1-41-13-15-42(16-14-41)22-24-5-10-32(39-21-24)33-20-30-28(11-12-38-36(30)40-33)27-3-2-4-34(31(27)23-44)43-17-18-46-35-19-26(25-6-7-25)8-9-29(35)37(43)45/h2-5,8-12,19-21,25,44H,6-7,13-18,22-23H2,1H3,(H,38,40)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202200
PNG
(US9233983, P-15)
Show SMILES CC1(O)CN(C1)C(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C36H36FN5O5/c1-36(46)19-41(20-36)35(45)40-11-8-22(9-12-40)29-17-26-25(7-10-38-33(26)39-29)24-3-2-4-30(27(24)18-43)42-13-14-47-31-16-23(21-5-6-21)15-28(37)32(31)34(42)44/h2-4,7-8,10,15-17,21,43,46H,5-6,9,11-14,18-20H2,1H3,(H,38,39)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134365
PNG
(CHEMBL3745935)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1
Show InChI InChI=1S/C26H21F2N7O2S/c1-34-8-9-35-15(13-34)11-22(33-35)29-19-12-18(31-32-25(19)36)16-6-7-17(27)24(23(16)28)30-26(37)21-10-14-4-2-3-5-20(14)38-21/h2-7,10-12H,8-9,13H2,1H3,(H,30,37)(H,32,36)(H,29,31,33)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202196
PNG
(US9233983, P-11)
Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C32H31FN4O5S/c1-43(40,41)36-11-8-20(9-12-36)27-17-24-23(7-10-34-31(24)35-27)22-3-2-4-28(25(22)18-38)37-13-14-42-29-16-21(19-5-6-19)15-26(33)30(29)32(37)39/h2-4,7-8,10,15-17,19,38H,5-6,9,11-14,18H2,1H3,(H,34,35)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM111951
PNG
(US8618107, 197)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1
Show InChI InChI=1S/C34H38FN7O3/c1-38-9-11-40(12-10-38)25-7-8-32(36-19-25)37-28-15-23(20-39(2)33(28)44)26-17-24(35)18-30(27(26)21-43)42-14-13-41-29-6-4-3-5-22(29)16-31(41)34(42)45/h7-8,15-20,43H,3-6,9-14,21H2,1-2H3,(H,36,37)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50254270
PNG
(CHEMBL4080943)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
Show InChI InChI=1S/C35H40N6O3S/c1-35(2)17-26-25-10-11-41(34(44)32(25)45-30(26)18-35)29-7-5-6-24(27(29)21-42)22-16-28(33(43)39(4)20-22)37-31-9-8-23(19-36-31)40-14-12-38(3)13-15-40/h5-9,16,19-20,42H,10-15,17-18,21H2,1-4H3,(H,36,37)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202109
PNG
(US9233983, D-1)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C34H35N7O3/c1-39-11-9-24(10-12-39)41-18-23(17-37-41)29-16-27-32(35-20-36-33(27)38-29)25-3-2-4-30(28(25)19-42)40-13-14-44-31-15-22(21-5-6-21)7-8-26(31)34(40)43/h2-4,7-8,15-18,20-21,24,42H,5-6,9-14,19H2,1H3,(H,35,36,38)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202105
PNG
(US9233983, C-2)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C36H36N6O3/c1-40-13-15-41(16-14-40)26-10-7-24(8-11-26)31-20-29-34(37-22-38-35(29)39-31)27-3-2-4-32(30(27)21-43)42-17-18-45-33-19-25(23-5-6-23)9-12-28(33)36(42)44/h2-4,7-12,19-20,22-23,43H,5-6,13-18,21H2,1H3,(H,37,38,39)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134366
PNG
(CHEMBL3746115)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(NC(=O)c4cc5ccccc5s4)c3C)cc2C1
Show InChI InChI=1S/C27H25N7O2S/c1-16-19(7-5-8-20(16)29-27(36)24-12-17-6-3-4-9-23(17)37-24)21-14-22(26(35)31-30-21)28-25-13-18-15-33(2)10-11-34(18)32-25/h3-9,12-14H,10-11,15H2,1-2H3,(H,29,36)(H,31,35)(H,28,30,32)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202197
PNG
(US9233983, P-12)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C34H33FN4O4/c35-28-14-22(20-4-5-20)15-31-32(28)34(41)39(12-13-43-31)30-3-1-2-24(27(30)17-40)25-6-9-36-33-26(25)16-29(37-33)21-7-10-38(11-8-21)23-18-42-19-23/h1-3,6-7,9,14-16,20,23,40H,4-5,8,10-13,17-19H2,(H,36,37)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202082
PNG
(US9233983, B-1)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C37H38N6O3/c1-41-13-15-42(16-14-41)21-24-5-7-26(8-6-24)32-20-30-35(38-23-39-36(30)40-32)28-3-2-4-33(31(28)22-44)43-17-18-46-34-19-27(25-9-10-25)11-12-29(34)37(43)45/h2-8,11-12,19-20,23,25,44H,9-10,13-18,21-22H2,1H3,(H,38,39,40)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134323
PNG
(CHEMBL3746036)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)cc2C1
Show InChI InChI=1S/C26H22FN7O2S/c1-33-8-9-34-17(14-33)12-24(32-34)28-21-13-19(30-31-25(21)35)15-6-7-18(27)20(10-15)29-26(36)23-11-16-4-2-3-5-22(16)37-23/h2-7,10-13H,8-9,14H2,1H3,(H,29,36)(H,31,35)(H,28,30,32)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50450836
PNG
(CHEMBL4216939)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CC#N)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C34H30FN5O4/c35-27-16-22(20-4-5-20)17-30-32(27)34(43)40(14-15-44-30)29-3-1-2-23(26(29)19-41)24-7-11-37-33-25(24)18-28(38-33)21-8-12-39(13-9-21)31(42)6-10-36/h1-3,7-8,11,16-18,20,41H,4-6,9,12-15,19H2,(H,37,38)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202127
PNG
(US9233983, G-1)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C37H37N5O4/c1-41-15-13-27(14-16-41)46-26-10-7-24(8-11-26)32-20-30-35(38-22-39-36(30)40-32)28-3-2-4-33(31(28)21-43)42-17-18-45-34-19-25(23-5-6-23)9-12-29(34)37(42)44/h2-4,7-12,19-20,22-23,27,43H,5-6,13-18,21H2,1H3,(H,38,39,40)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50254273
PNG
(CHEMBL4085292)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C(C)(C)C)c1CO
Show InChI InChI=1S/C30H31N5O3/c1-30(2,3)21-8-9-23-19(14-21)11-13-35(28(23)37)26-7-5-6-22(24(26)17-36)20-15-25(29(38)34(4)16-20)33-27-10-12-31-18-32-27/h5-10,12,14-16,18,36H,11,13,17H2,1-4H3,(H,31,32,33)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202128
PNG
(US9233983, G-2)
Show SMILES CN1CC(C1)Oc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(N2CCOc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C35H33N5O4/c1-39-17-25(18-39)44-24-10-7-22(8-11-24)30-16-28-33(36-20-37-34(28)38-30)26-3-2-4-31(29(26)19-41)40-13-14-43-32-15-23(21-5-6-21)9-12-27(32)35(40)42/h2-4,7-12,15-16,20-21,25,41H,5-6,13-14,17-19H2,1H3,(H,36,37,38)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134369
PNG
(CHEMBL3747417)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)cc2C1
Show InChI InChI=1S/C29H32FN7O2/c1-17-21(10-11-22(30)26(17)32-27(38)18-6-8-19(9-7-18)29(2,3)4)23-15-24(28(39)34-33-23)31-25-14-20-16-36(5)12-13-37(20)35-25/h6-11,14-15H,12-13,16H2,1-5H3,(H,32,38)(H,34,39)(H,31,33,35)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50254236
PNG
(CHEMBL4090189)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Show InChI InChI=1S/C29H30N6O3/c1-29(2)13-18-12-24-28(38)35(10-9-34(24)25(18)14-29)23-6-4-5-20(21(23)16-36)19-11-22(27(37)33(3)15-19)32-26-7-8-30-17-31-26/h4-8,11-12,15,17,36H,9-10,13-14,16H2,1-3H3,(H,30,31,32)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202086
PNG
(US9233983, B-5)
Show SMILES OCc1c(cccc1-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1)N1CCOc2cc(ccc2C1=O)C1CC1
Show InChI InChI=1S/C36H35N5O4/c42-21-30-27(2-1-3-32(30)41-14-17-45-33-18-26(24-8-9-24)10-11-28(33)36(41)43)34-29-19-31(39-35(29)38-22-37-34)25-6-4-23(5-7-25)20-40-12-15-44-16-13-40/h1-7,10-11,18-19,22,24,42H,8-9,12-17,20-21H2,(H,37,38,39)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50388183
PNG
(CHEMBL2057915)
Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
Show InChI InChI=1/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/s2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50064866
PNG
(CHEMBL3401289)
Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
Show InChI InChI=1S/C33H37N5O2S/c1-21-26(8-6-9-27(21)36-32(39)30-19-24-7-4-5-10-29(24)41-30)28-20-38(3)33(40)31(35-28)34-25-13-11-22(12-14-25)23-15-17-37(2)18-16-23/h6,8-9,11-14,19-20,23H,4-5,7,10,15-18H2,1-3H3,(H,34,35)(H,36,39)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM111939
PNG
(US8618107, 105)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO
Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202208
PNG
(US9233983, P-23)
Show SMILES CC(C)(O)CN1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C35H37FN4O4/c1-35(2,43)20-39-12-9-22(10-13-39)29-18-26-25(8-11-37-33(26)38-29)24-4-3-5-30(27(24)19-41)40-14-15-44-31-17-23(21-6-7-21)16-28(36)32(31)34(40)42/h3-5,8-9,11,16-18,21,41,43H,6-7,10,12-15,19-20H2,1-2H3,(H,37,38)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50064876
PNG
(CHEMBL3401267)
Show SMILES CCC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C35H39N5O4/c1-6-35(3,4)26-14-10-24(11-15-26)32(41)38-29-9-7-8-28(23(29)2)30-22-39(5)34(43)31(37-30)36-27-16-12-25(13-17-27)33(42)40-18-20-44-21-19-40/h7-17,22H,6,18-21H2,1-5H3,(H,36,37)(H,38,41)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202087
PNG
(US9233983, B-6)
Show SMILES CC1(O)CCN(Cc2ccc(cc2)-c2cc3c(ncnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C38H39N5O4/c1-38(46)13-15-42(16-14-38)21-24-5-7-26(8-6-24)32-20-30-35(39-23-40-36(30)41-32)28-3-2-4-33(31(28)22-44)43-17-18-47-34-19-27(25-9-10-25)11-12-29(34)37(43)45/h2-8,11-12,19-20,23,25,44,46H,9-10,13-18,21-22H2,1H3,(H,39,40,41)
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Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM111938
PNG
(US8618107, 104)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO
Show InChI InChI=1S/C28H27N5O3S/c1-32-14-17(13-22(27(32)35)31-25-9-11-29-16-30-25)18-6-4-7-23(21(18)15-34)33-12-10-20-19-5-2-3-8-24(19)37-26(20)28(33)36/h4,6-7,9,11,13-14,16,34H,2-3,5,8,10,12,15H2,1H3,(H,29,30,31)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134368
PNG
(CHEMBL3746333)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cnc(cn4)C(C)(C)C)c3C)cc2C1
Show InChI InChI=1S/C27H30FN9O2/c1-15-17(6-7-18(28)24(15)32-25(38)21-12-30-22(13-29-21)27(2,3)4)19-11-20(26(39)34-33-19)31-23-10-16-14-36(5)8-9-37(16)35-23/h6-7,10-13H,8-9,14H2,1-5H3,(H,32,38)(H,34,39)(H,31,33,35)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134320
PNG
(CHEMBL3746293)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1
Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM111945
PNG
(US8618107, 113)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1
Show InChI InChI=1S/C34H39N7O3/c1-37-12-14-39(15-13-37)25-10-11-32(35-20-25)36-28-18-24(21-38(2)33(28)43)26-7-5-9-30(27(26)22-42)41-17-16-40-29-8-4-3-6-23(29)19-31(40)34(41)44/h5,7,9-11,18-21,42H,3-4,6,8,12-17,22H2,1-2H3,(H,35,36)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in mouse splenic B cells after 18 hrs by antibody-based FACS analysis


Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50254279
PNG
(CHEMBL4060453)
Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
Show InChI InChI=1S/C36H41N7O4/c1-39-20-25(17-30(35(39)45)38-34-10-9-26(19-37-34)40-11-13-41(14-12-40)27-22-47-23-27)28-6-4-8-32(29(28)21-44)43-16-15-42-31-7-3-2-5-24(31)18-33(42)36(43)46/h4,6,8-10,17-20,27,44H,2-3,5,7,11-16,21-23H2,1H3,(H,37,38)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50194720
PNG
(CHEMBL3900554)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(O)=N)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/s2
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in mouse whole blood assessed as suppression of BCR/anti-IgM/IgG-stimulated CD69 surface expression after 18 hrs with agitation by ...


J Med Chem 59: 9173-9200 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01088
BindingDB Entry DOI: 10.7270/Q23T9K5H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM36516
PNG
(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
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n/an/a 150n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202141
PNG
(US9233983, I-12)
Show SMILES CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1
Show InChI InChI=1S/C38H39FN6O3/c1-2-43-12-14-44(15-13-43)22-24-6-9-32(41-21-24)33-20-29-28(10-11-40-37(29)42-33)27-4-3-5-34(30(27)23-46)45-16-17-48-35-19-26(25-7-8-25)18-31(39)36(35)38(45)47/h3-6,9-11,18-21,25,46H,2,7-8,12-17,22-23H2,1H3,(H,40,42)
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n/an/a 159n/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse BTK assessed as decrease in anti-mouse IgD antibody stimulated BCR mediated CD69 upregulation in whole blood preincubated for 1 h...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50064863
PNG
(CHEMBL3401292)
Show SMILES CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
Show InChI InChI=1/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/s2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50254278
PNG
(CHEMBL4069030)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCNc3cc(ccc3C2=O)C(C)(C)C)c1CO
Show InChI InChI=1S/C30H32N6O3/c1-30(2,3)20-8-9-22-24(15-20)32-12-13-36(28(22)38)26-7-5-6-21(23(26)17-37)19-14-25(29(39)35(4)16-19)34-27-10-11-31-18-33-27/h5-11,14-16,18,32,37H,12-13,17H2,1-4H3,(H,31,33,34)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50254277
PNG
(CHEMBL4067714)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2Cc3cc(sc3C2=O)C(C)(C)C)c1CO
Show InChI InChI=1S/C27H27N5O3S/c1-27(2,3)22-11-17-13-32(26(35)24(17)36-22)21-7-5-6-18(19(21)14-33)16-10-20(25(34)31(4)12-16)30-23-8-9-28-15-29-23/h5-12,15,33H,13-14H2,1-4H3,(H,28,29,30)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM111943
PNG
(US8618107, 109)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO
Show InChI InChI=1S/C28H28N6O3/c1-32-15-19(13-22(27(32)36)31-26-9-10-29-17-30-26)20-6-4-8-24(21(20)16-35)34-12-11-33-23-7-3-2-5-18(23)14-25(33)28(34)37/h4,6,8-10,13-15,17,35H,2-3,5,7,11-12,16H2,1H3,(H,29,30,31)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134324
PNG
(CHEMBL3747019)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1
Show InChI InChI=1S/C27H24FN7O2S/c1-15-7-8-18(24(28)25(15)30-27(37)22-11-16-5-3-4-6-21(16)38-22)19-13-20(26(36)32-31-19)29-23-12-17-14-34(2)9-10-35(17)33-23/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50254269
PNG
(CHEMBL4096404)
Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO
Show InChI InChI=1S/C30H31N5O4/c1-30(2,3)20-8-9-22-26(15-20)39-13-12-35(28(22)37)25-7-5-6-21(23(25)17-36)19-14-24(29(38)34(4)16-19)33-27-10-11-31-18-32-27/h5-11,14-16,18,36H,12-13,17H2,1-4H3,(H,31,32,33)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...


ACS Med Chem Lett 8: 608-613 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50064869
PNG
(CHEMBL3401277)
Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C32H33N5O4S/c1-20-24(7-5-8-25(20)35-30(38)28-18-22-6-3-4-9-27(22)42-28)26-19-36(2)32(40)29(34-26)33-23-12-10-21(11-13-23)31(39)37-14-16-41-17-15-37/h5,7-8,10-13,18-19H,3-4,6,9,14-17H2,1-2H3,(H,33,34)(H,35,38)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM202197
PNG
(US9233983, P-12)
Show SMILES OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1
Show InChI InChI=1S/C34H33FN4O4/c35-28-14-22(20-4-5-20)15-31-32(28)34(41)39(12-13-43-31)30-3-1-2-24(27(30)17-40)25-6-9-36-33-26(25)16-29(37-33)21-7-10-38(11-8-21)23-18-42-19-23/h1-3,6-7,9,14-16,20,23,40H,4-5,8,10-13,17-19H2,(H,36,37)
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n/an/a 364n/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse BTK assessed as decrease in anti-mouse IgD antibody stimulated BCR mediated CD69 upregulation in whole blood preincubated for 1 h...


Bioorg Med Chem Lett 27: 1867-1873 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50134364
PNG
(CHEMBL3746971)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1
Show InChI InChI=1S/C28H27N7O2S/c1-16-8-9-20(17(2)26(16)30-28(37)24-12-18-6-4-5-7-23(18)38-24)21-14-22(27(36)32-31-21)29-25-13-19-15-34(3)10-11-35(19)33-25/h4-9,12-14H,10-11,15H2,1-3H3,(H,30,37)(H,32,36)(H,29,31,33)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry


Bioorg Med Chem Lett 26: 575-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.076
BindingDB Entry DOI: 10.7270/Q2222WMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50064877
PNG
(CHEMBL3401266)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C32H34N6O4/c1-21-26(6-5-7-27(21)35-30(39)22-10-14-25(15-11-22)36(2)3)28-20-37(4)32(41)29(34-28)33-24-12-8-23(9-13-24)31(40)38-16-18-42-19-17-38/h5-15,20H,16-19H2,1-4H3,(H,33,34)(H,35,39)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
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