Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 7481   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197250 (US9090621, 85A | US9572811, Example 41A) Show SMILES CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5| Show InChI InChI=1S/C31H33FN8O2/c1-4-37-31(2,3)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(38-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21,37H,4,8-9,14,18H2,1-3H3,(H2,34,35,36)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197248 (US9090621, 84B) Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5| Show InChI InChI=1S/C31H33FN8O2/c1-31(2,38(3)4)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(37-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21H,8-9,14,18H2,1-4H3,(H2,34,35,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197275 (US9090621, 27B | US9572811, Example 34) Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:16.17| Show InChI InChI=1S/C29H26FN7O2/c30-24-14-22(39-21-6-2-1-3-7-21)10-11-23(24)26-25-27(32)33-17-34-28(25)37(35-26)16-20-5-4-12-36(20)29(38)19(15-31)13-18-8-9-18/h1-3,6-7,10-11,13-14,17-18,20H,4-5,8-9,12,16H2,(H2,32,33,34)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197225 (US9090621, 188 | US9572811, Example 188) Show SMILES C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N |r,w:31.35| Show InChI InChI=1S/C27H27FN8O2/c1-16(34-26(37)17(13-29)12-27(2,3)31)14-36-25-22(24(30)32-15-33-25)23(35-36)20-10-9-19(11-21(20)28)38-18-7-5-4-6-8-18/h4-12,15-16H,14,31H2,1-3H3,(H,34,37)(H2,30,32,33)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197220 (BDBM197237 | US9090621, 95B | US9572811, Example 9...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r,w:3.2| Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40-13-15-44-16-14-40)18-22(19-35)32(43)41-12-6-7-23(41)20-42-31-28(30(36)37-21-38-31)29(39-42)26-11-10-25(17-27(26)34)45-24-8-4-3-5-9-24/h3-5,8-11,17-18,21,23H,6-7,12-16,20H2,1-2H3,(H2,36,37,38)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197262 (US9090621, 162A | US9572811, Example 162A) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12)N1CCOCC1 |r,w:3.2| Show InChI InChI=1S/C33H33F3N8O3/c1-33(2,43-11-13-46-14-12-43)16-20(17-37)32(45)42-10-4-5-21(18-42)44-31-27(30(38)39-19-40-31)29(41-44)23-9-8-22(15-25(23)35)47-26-7-3-6-24(34)28(26)36/h3,6-9,15-16,19,21H,4-5,10-14,18H2,1-2H3,(H2,38,39,40)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197182 (US9090621, 5) Show SMILES COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(C2CCCN(C2)C(=O)C(=CC2CC2)C#N)c2ncnc(N)c12 |w:29.32| Show InChI InChI=1S/C30H27Cl2N7O3/c1-41-25-12-18(6-9-24(25)42-21-7-8-22(31)23(32)13-21)27-26-28(34)35-16-36-29(26)39(37-27)20-3-2-10-38(15-20)30(40)19(14-33)11-17-4-5-17/h6-9,11-13,16-17,20H,2-5,10,15H2,1H3,(H2,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197266 (US9090621, 175B) Show SMILES CC(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:6.5| Show InChI InChI=1S/C33H36N6O2/c1-22(2)33(3,4)17-24(18-34)32(40)39-16-8-9-25(39)19-38-20-28(29-30(35)36-21-37-31(29)38)23-12-14-27(15-13-23)41-26-10-6-5-7-11-26/h5-7,10-15,17,20-22,25H,8-9,16,19H2,1-4H3,(H2,35,36,37)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197255 (US9090621, 105A | US9572811, Example 105B) Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r,w:5.4| Show InChI InChI=1S/C30H29F3N8O2/c1-30(2,36-3)13-17(14-34)29(42)40-11-5-6-18(40)15-41-28-24(27(35)37-16-38-28)26(39-41)20-10-9-19(12-22(20)32)43-23-8-4-7-21(31)25(23)33/h4,7-10,12-13,16,18,36H,5-6,11,15H2,1-3H3,(H2,35,37,38)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197180 (BDBM197208 | US9090621, 7) Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:4.3| Show InChI InChI=1S/C30H31N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,16,19,22H,7-8,15,18H2,1-3H3,(H2,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197199 (US9090621, 83B) Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:5.4| Show InChI InChI=1S/C30H31FN8O2/c1-30(2,34-3)15-19(16-32)29(40)38-13-7-8-20(38)17-39-28-25(27(33)35-18-36-28)26(37-39)23-12-11-22(14-24(23)31)41-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20,34H,7-8,13,17H2,1-3H3,(H2,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197258 (US9090621, 106B) Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r,w:6.5| Show InChI InChI=1S/C31H31F3N8O2/c1-31(2,40(3)4)14-18(15-35)30(43)41-12-6-7-19(41)16-42-29-25(28(36)37-17-38-29)27(39-42)21-11-10-20(13-23(21)33)44-24-9-5-8-22(32)26(24)34/h5,8-11,13-14,17,19H,6-7,12,16H2,1-4H3,(H2,36,37,38)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197230 (US9090621, 72A) Show SMILES CC(C)(N)C=C([N+]#[C-])C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12 |r,w:4.3| Show InChI InChI=1S/C29H28F2N8O2/c1-29(2,33)14-23(34-3)28(40)38-11-5-7-18(38)15-39-27-24(26(32)35-16-36-27)25(37-39)21-10-9-20(13-22(21)31)41-19-8-4-6-17(30)12-19/h4,6,8-10,12-14,16,18H,5,7,11,15,33H2,1-2H3,(H2,32,35,36)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197191 (US9090621, 15A) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:33.38| Show InChI InChI=1S/C29H26FN7O2/c30-21-3-1-5-24(14-21)39-23-10-8-19(9-11-23)26-25-27(32)33-17-34-28(25)37(35-26)22-4-2-12-36(16-22)29(38)20(15-31)13-18-6-7-18/h1,3,5,8-11,13-14,17-18,22H,2,4,6-7,12,16H2,(H2,32,33,34)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197204 (US9090621, 30A) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(=C\C1CC1)\C#N Show InChI InChI=1S/C29H27N7O2/c30-16-21(15-19-8-9-19)29(37)35-14-4-5-22(17-35)36-28-25(27(31)32-18-33-28)26(34-36)20-10-12-24(13-11-20)38-23-6-2-1-3-7-23/h1-3,6-7,10-13,15,18-19,22H,4-5,8-9,14,17H2,(H2,31,32,33)/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197212 (US9090621, 43A) Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cccc(F)c4F)cc3F)c12 |r,w:16.17| Show InChI InChI=1S/C29H24F3N7O2/c30-21-4-1-5-23(25(21)32)41-19-8-9-20(22(31)12-19)26-24-27(34)35-15-36-28(24)39(37-26)14-18-3-2-10-38(18)29(40)17(13-33)11-16-6-7-16/h1,4-5,8-9,11-12,15-16,18H,2-3,6-7,10,14H2,(H2,34,35,36)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197190 (US9090621, 22A) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17| Show InChI InChI=1S/C29H27N7O2/c30-16-21(15-19-8-9-19)29(37)35-14-4-5-22(35)17-36-28-25(27(31)32-18-33-28)26(34-36)20-10-12-24(13-11-20)38-23-6-2-1-3-7-23/h1-3,6-7,10-13,15,18-19,22H,4-5,8-9,14,17H2,(H2,31,32,33)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197188 (US9090621, 31A) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cccc(F)c4F)cc3)c12 |r,w:16.17| Show InChI InChI=1S/C29H25F2N7O2/c30-22-4-1-5-23(25(22)31)40-21-10-8-18(9-11-21)26-24-27(33)34-16-35-28(24)38(36-26)15-20-3-2-12-37(20)29(39)19(14-32)13-17-6-7-17/h1,4-5,8-11,13,16-17,20H,2-3,6-7,12,15H2,(H2,33,34,35)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM60902 (US9090621, 102A) Show SMILES CC(C)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H25F3N6O2/c1-14(2)26(36)34-10-4-5-15(34)12-35-25-21(24(30)31-13-32-25)23(33-35)17-9-8-16(11-19(17)28)37-20-7-3-6-18(27)22(20)29/h3,6-9,11,13-15H,4-5,10,12H2,1-2H3,(H2,30,31,32)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197215 (US9090621, 54A) Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:32.37| Show InChI InChI=1S/C30H28N6O2/c31-16-22(15-20-8-9-20)30(37)35-14-4-5-23(17-35)36-18-26(27-28(32)33-19-34-29(27)36)21-10-12-25(13-11-21)38-24-6-2-1-3-7-24/h1-3,6-7,10-13,15,18-20,23H,4-5,8-9,14,17H2,(H2,32,33,34)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197259 (US9090621, 124A) Show SMILES CC(C)C=C(C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:3.2| Show InChI InChI=1S/C29H28FN7O2/c1-18(2)13-19(15-31)29(38)36-12-6-7-20(16-36)37-28-25(27(32)33-17-34-28)26(35-37)23-11-10-22(14-24(23)30)39-21-8-4-3-5-9-21/h3-5,8-11,13-14,17-18,20H,6-7,12,16H2,1-2H3,(H2,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197269 (US9090621, 182B) Show SMILES C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)C)C#N |r,w:31.35| Show InChI InChI=1S/C28H28FN7O2/c1-17(34-27(37)18(14-30)13-28(2,3)4)15-36-26-23(25(31)32-16-33-26)24(35-36)21-11-10-20(12-22(21)29)38-19-8-6-5-7-9-19/h5-13,16-17H,15H2,1-4H3,(H,34,37)(H2,31,32,33)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197260 (US9090621, 125A | US9572811, Example 125) Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:4.3| Show InChI InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM60903 (US9090621, 17A) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39| Show InChI InChI=1S/C29H25F2N7O2/c30-20-11-21(31)13-24(12-20)40-23-7-5-18(6-8-23)26-25-27(33)34-16-35-28(25)38(36-26)22-2-1-9-37(15-22)29(39)19(14-32)10-17-3-4-17/h5-8,10-13,16-17,22H,1-4,9,15H2,(H2,33,34,35)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197205 (US9090621, 74B | US9090621, 82A | US9572811, Examp...) Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:4.3| Show InChI InChI=1S/C29H29FN8O2/c1-29(2,33)14-18(15-31)28(39)37-12-6-7-19(37)16-38-27-24(26(32)34-17-35-27)25(36-38)22-11-10-21(13-23(22)30)40-20-8-4-3-5-9-20/h3-5,8-11,13-14,17,19H,6-7,12,16,33H2,1-2H3,(H2,32,34,35)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM60904 (US9090621, 17B) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39| Show InChI InChI=1S/C29H25F2N7O2/c30-20-11-21(31)13-24(12-20)40-23-7-5-18(6-8-23)26-25-27(33)34-16-35-28(25)38(36-26)22-2-1-9-37(15-22)29(39)19(14-32)10-17-3-4-17/h5-8,10-13,16-17,22H,1-4,9,15H2,(H2,33,34,35)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197240 (US9090621, 22B) Show SMILES Nc1ncnc2n(CC3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12 |w:16.17| Show InChI InChI=1S/C29H27N7O2/c30-16-21(15-19-8-9-19)29(37)35-14-4-5-22(35)17-36-28-25(27(31)32-18-33-28)26(34-36)20-10-12-24(13-11-20)38-23-6-2-1-3-7-23/h1-3,6-7,10-13,15,18-19,22H,4-5,8-9,14,17H2,(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197180 (BDBM197208 | US9090621, 7) Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |w:4.3| Show InChI InChI=1S/C30H31N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,16,19,22H,7-8,15,18H2,1-3H3,(H2,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197218 (US9090621, 42A) Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)c(F)c3)c12 |r,w:16.17| Show InChI InChI=1S/C29H26FN7O2/c30-23-14-19(10-11-24(23)39-22-6-2-1-3-7-22)26-25-27(32)33-17-34-28(25)37(35-26)16-21-5-4-12-36(21)29(38)20(15-31)13-18-8-9-18/h1-3,6-7,10-11,13-14,17-18,21H,4-5,8-9,12,16H2,(H2,32,33,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197234 (US9090621, 126A) Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:4.3| Show InChI InChI=1S/C29H29FN8O2/c1-29(2,33)14-18(15-31)28(39)37-12-6-7-19(16-37)38-27-24(26(32)34-17-35-27)25(36-38)22-11-10-21(13-23(22)30)40-20-8-4-3-5-9-20/h3-5,8-11,13-14,17,19H,6-7,12,16,33H2,1-2H3,(H2,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197265 (US9090621, 175A) Show SMILES CC(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:6.5| Show InChI InChI=1S/C33H36N6O2/c1-22(2)33(3,4)17-24(18-34)32(40)39-16-8-9-25(39)19-38-20-28(29-30(35)36-21-37-31(29)38)23-12-14-27(15-13-23)41-26-10-6-5-7-11-26/h5-7,10-15,17,20-22,25H,8-9,16,19H2,1-4H3,(H2,35,36,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197200 (US9090621, 79B | US9572811, Example 79B) Show SMILES Nc1ncnc2n(C[C@@H]3CC(F)(F)CN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:18.19| Show InChI InChI=1S/C29H24F3N7O2/c30-23-11-21(41-20-4-2-1-3-5-20)8-9-22(23)25-24-26(34)35-16-36-27(24)39(37-25)14-19-12-29(31,32)15-38(19)28(40)18(13-33)10-17-6-7-17/h1-5,8-11,16-17,19H,6-7,12,14-15H2,(H2,34,35,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197242 (US9090621, 44B) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4c(F)cccc4F)cc3F)c12 |r,w:16.17| Show InChI InChI=1S/C29H24F3N7O2/c30-21-4-1-5-22(31)26(21)41-19-8-9-20(23(32)12-19)25-24-27(34)35-15-36-28(24)39(37-25)14-18-3-2-10-38(18)29(40)17(13-33)11-16-6-7-16/h1,4-5,8-9,11-12,15-16,18H,2-3,6-7,10,14H2,(H2,34,35,36)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197270 (US9090621, 183B | US9572811, Example 182B) Show SMILES CC(C)C=C(C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:3.2| Show InChI InChI=1S/C27H26FN7O2/c1-16(2)11-18(13-29)27(36)33-17(3)14-35-26-23(25(30)31-15-32-26)24(34-35)21-10-9-20(12-22(21)28)37-19-7-5-4-6-8-19/h4-12,15-17H,14H2,1-3H3,(H,33,36)(H2,30,31,32)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197176 (US9090621, 1 | US9572811, Example 1) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(=CC1CC1)C#N |w:32.37| Show InChI InChI=1S/C29H27N7O2/c30-16-21(15-19-8-9-19)29(37)35-14-4-5-22(17-35)36-28-25(27(31)32-18-33-28)26(34-36)20-10-12-24(13-11-20)38-23-6-2-1-3-7-23/h1-3,6-7,10-13,15,18-19,22H,4-5,8-9,14,17H2,(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197211 (US9090621, 41A) Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3F)c12 |r,w:16.17| Show InChI InChI=1S/C29H24F3N7O2/c30-18-9-19(31)11-22(10-18)41-21-5-6-23(24(32)12-21)26-25-27(34)35-15-36-28(25)39(37-26)14-20-2-1-7-38(20)29(40)17(13-33)8-16-3-4-16/h5-6,8-12,15-16,20H,1-4,7,14H2,(H2,34,35,36)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197220 (BDBM197237 | US9090621, 95B | US9572811, Example 9...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r,w:3.2| Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40-13-15-44-16-14-40)18-22(19-35)32(43)41-12-6-7-23(41)20-42-31-28(30(36)37-21-38-31)29(39-42)26-11-10-25(17-27(26)34)45-24-8-4-3-5-9-24/h3-5,8-11,17-18,21,23H,6-7,12-16,20H2,1-2H3,(H2,36,37,38)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197219 (US9090621, 56A) Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N |r| Show InChI InChI=1S/C30H27FN6O2/c31-26-14-23(39-22-6-2-1-3-7-22)10-11-24(26)25-17-37(29-27(25)28(33)34-18-35-29)21-5-4-12-36(16-21)30(38)20(15-32)13-19-8-9-19/h1-3,6-7,10-11,13-14,17-19,21H,4-5,8-9,12,16H2,(H2,33,34,35)/b20-13+/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197247 (US9090621, 84A | US9572811, Example 85A) Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:6.5| Show InChI InChI=1S/C31H33FN8O2/c1-31(2,38(3)4)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(37-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21H,8-9,14,18H2,1-4H3,(H2,34,35,36)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197273 (US9090621, 186) Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=C\C3CCCN3)\C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r| Show InChI InChI=1S/C30H29FN8O2/c31-25-15-23(41-22-8-2-1-3-9-22)10-11-24(25)27-26-28(33)35-18-36-29(26)39(37-27)17-21-7-5-13-38(21)30(40)19(16-32)14-20-6-4-12-34-20/h1-3,8-11,14-15,18,20-21,34H,4-7,12-13,17H2,(H2,33,35,36)/b19-14+/t20?,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197202 (US9090621, 2 | US9572811, Example 57B) Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17| Show InChI InChI=1S/C30H28N6O2/c31-16-22(15-20-8-9-20)30(37)36-14-4-5-23(36)17-35-18-26(27-28(32)33-19-34-29(27)35)21-10-12-25(13-11-21)38-24-6-2-1-3-7-24/h1-3,6-7,10-13,15,18-20,23H,4-5,8-9,14,17H2,(H2,32,33,34)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197241 (US9090621, 39B) Show SMILES Nc1ncnc2n(CC3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cc(F)ccc4F)cc3)c12 |w:16.17| Show InChI InChI=1S/C29H25F2N7O2/c30-20-7-10-23(31)24(13-20)40-22-8-5-18(6-9-22)26-25-27(33)34-16-35-28(25)38(36-26)15-21-2-1-11-37(21)29(39)19(14-32)12-17-3-4-17/h5-10,12-13,16-17,21H,1-4,11,15H2,(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197187 (US9090621, 27A) Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12 |r,w:16.17| Show InChI InChI=1S/C29H26FN7O2/c30-24-14-22(39-21-6-2-1-3-7-21)10-11-23(24)26-25-27(32)33-17-34-28(25)37(35-26)16-20-5-4-12-36(20)29(38)19(15-31)13-18-8-9-18/h1-3,6-7,10-11,13-14,17-18,20H,4-5,8-9,12,16H2,(H2,32,33,34)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197227 (US9090621, 80B) Show SMILES CC(C)C=C(C#N)C(=O)N1CC(F)(F)C[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:3.2| Show InChI InChI=1S/C29H26F3N7O2/c1-17(2)10-18(13-33)28(40)38-15-29(31,32)12-19(38)14-39-27-24(26(34)35-16-36-27)25(37-39)22-9-8-21(11-23(22)30)41-20-6-4-3-5-7-20/h3-11,16-17,19H,12,14-15H2,1-2H3,(H2,34,35,36)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197268 (US9090621, 180B | US9572811, Example 180A) Show SMILES CCN(CC)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:8.7| Show InChI InChI=1S/C34H39N7O2/c1-5-40(6-2)34(3,4)19-25(20-35)33(42)41-18-10-11-26(41)21-39-22-29(30-31(36)37-23-38-32(30)39)24-14-16-28(17-15-24)43-27-12-8-7-9-13-27/h7-9,12-17,19,22-23,26H,5-6,10-11,18,21H2,1-4H3,(H2,36,37,38)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197195 (US9090621, 37A) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)ccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39| Show InChI InChI=1S/C29H25F2N7O2/c30-20-7-10-23(31)24(13-20)40-22-8-5-18(6-9-22)26-25-27(33)34-16-35-28(25)38(36-26)21-2-1-11-37(15-21)29(39)19(14-32)12-17-3-4-17/h5-10,12-13,16-17,21H,1-4,11,15H2,(H2,33,34,35)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197193 (US9090621, 36A) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4c(F)cccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39| Show InChI InChI=1S/C29H25F2N7O2/c30-22-4-1-5-23(31)26(22)40-21-10-8-18(9-11-21)25-24-27(33)34-16-35-28(24)38(36-25)20-3-2-12-37(15-20)29(39)19(14-32)13-17-6-7-17/h1,4-5,8-11,13,16-17,20H,2-3,6-7,12,15H2,(H2,33,34,35)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197245 (US9090621, 81A | US9572811, Example 81A) Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:3.2| Show InChI InChI=1S/C29H28FN7O2/c1-18(2)13-19(15-31)29(38)36-12-6-7-20(36)16-37-28-25(27(32)33-17-34-28)26(35-37)23-11-10-22(14-24(23)30)39-21-8-4-3-5-9-21/h3-5,8-11,13-14,17-18,20H,6-7,12,16H2,1-2H3,(H2,32,33,34)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197192 (US9090621, 35A) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39| Show InChI InChI=1S/C29H25F2N7O2/c30-22-4-1-5-23(25(22)31)40-21-10-8-18(9-11-21)26-24-27(33)34-16-35-28(24)38(36-26)20-3-2-12-37(15-20)29(39)19(14-32)13-17-6-7-17/h1,4-5,8-11,13,16-17,20H,2-3,6-7,12,15H2,(H2,33,34,35)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM197209 (US9090621, 34 | US9572811, Example 35A) Show SMILES Nc1ncnc2n(CCNC(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12 |w:13.13| Show InChI InChI=1S/C26H23N7O2/c27-15-19(14-17-6-7-17)26(34)29-12-13-33-25-22(24(28)30-16-31-25)23(32-33)18-8-10-21(11-9-18)35-20-4-2-1-3-5-20/h1-5,8-11,14,16-17H,6-7,12-13H2,(H,29,34)(H2,28,30,31)/b19-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
					More data for this Ligand-Target Pair

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