Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 8568   

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))	BDBM259423 (US10457647, Example 22 | US11180460, Example 22 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN1C(=O)C=C |r| Show InChI InChI=1S/C29H29F2N5O3/c1-3-25(37)36-10-4-5-20(36)14-39-27-26(33-15-34-28(27)32)22-12-19(30)13-24(16(22)2)35-29(38)21-9-8-18(11-23(21)31)17-6-7-17/h3,8-9,11-13,15,17,20H,1,4-7,10,14H2,2H3,(H,35,38)(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	<0.100	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259427 (US10457647, Example 26 | US11180460, Example 26 | ...) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O4/c1-4-26(38)37-13-21(40-3)12-20(37)14-41-28-27(34-15-35-29(28)33)23-10-19(31)11-25(16(23)2)36-30(39)22-8-7-18(9-24(22)32)17-5-6-17/h4,7-11,15,17,20-21H,1,5-6,12-14H2,2-3H3,(H,36,39)(H2,33,34,35)/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	0.400	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259425 (US10457647, Example 24 | US11180460, Example 24 | ...) Show SMILES Nc1ncnc(c1OC[C@@H]1CCCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r| Show InChI InChI=1S/C31H32FN5O4/c1-2-27(39)36-10-3-4-22(36)16-41-29-28(34-17-35-30(29)33)24-13-21(32)14-26(25(24)15-38)37-11-9-20-12-19(18-5-6-18)7-8-23(20)31(37)40/h2,7-8,12-14,17-18,22,38H,1,3-6,9-11,15-16H2,(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	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259404 (US10457647, Example 3 | US11180460, Example 3 | US...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C#C Show InChI InChI=1S/C27H23F2N5O3/c1-3-23(35)34-11-18(12-34)37-25-24(31-13-32-26(25)30)20-9-17(28)10-22(14(20)2)33-27(36)19-7-6-16(8-21(19)29)15-4-5-15/h1,6-10,13,15,18H,4-5,11-12H2,2H3,(H,33,36)(H2,30,31,32)	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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259440 (US10457647, Example 39 | US11180460, Example 39 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@H](CN1C(=O)C=C)C#N |r| Show InChI InChI=1S/C30H28F2N6O3/c1-3-26(39)38-13-17(12-33)8-21(38)14-41-28-27(35-15-36-29(28)34)23-10-20(31)11-25(16(23)2)37-30(40)22-7-6-19(9-24(22)32)18-4-5-18/h3,6-7,9-11,15,17-18,21H,1,4-5,8,13-14H2,2H3,(H,37,40)(H2,34,35,36)/t17-,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	1	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259426 (US10457647, Example 25 | US11180460, Example 25 | ...) Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO)C(=O)C=C Show InChI InChI=1S/C29H30FN5O4/c1-3-25(37)34(2)10-11-39-27-26(32-16-33-28(27)31)22-13-20(30)14-24(23(22)15-36)35-9-8-19-12-18(17-4-5-17)6-7-21(19)29(35)38/h3,6-7,12-14,16-17,36H,1,4-5,8-11,15H2,2H3,(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	1	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259424 (US10457647, Example 23 | US11180460, Example 23 | ...) Show SMILES CC#CC(=O)N1CCC[C@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C30H29F2N5O3/c1-3-5-26(38)37-11-4-6-21(37)15-40-28-27(34-16-35-29(28)33)23-13-20(31)14-25(17(23)2)36-30(39)22-10-9-19(12-24(22)32)18-7-8-18/h9-10,12-14,16,18,21H,4,6-8,11,15H2,1-2H3,(H,36,39)(H2,33,34,35)/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	1	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259429 (US10457647, Example 28 | US11180460, Example 28 | ...) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)N(C1)C(=O)C=C |r| Show InChI InChI=1S/C32H34FN5O5/c1-3-28(40)38-14-23(42-2)13-22(38)16-43-30-29(35-17-36-31(30)34)25-11-21(33)12-27(26(25)15-39)37-9-8-20-10-19(18-4-5-18)6-7-24(20)32(37)41/h3,6-7,10-12,17-18,22-23,39H,1,4-5,8-9,13-16H2,2H3,(H2,34,35,36)/t22-,23+/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	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259419 (US10457647, Example 18 | US11180460, Example 18 | ...) Show SMILES CC#CC(=O)N[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)34-15(2)13-38-26-25(32-14-33-27(26)31)21-11-19(29)12-23(16(21)3)35-28(37)20-9-8-18(10-22(20)30)17-6-7-17/h8-12,14-15,17H,6-7,13H2,1-3H3,(H,34,36)(H,35,37)(H2,31,32,33)/t15-/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	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259416 (US10457647, Example 15 | US11180460, Example 15 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCCN(CCF)C(=O)C=C Show InChI InChI=1S/C28H28F3N5O3/c1-3-24(37)36(9-8-29)10-11-39-26-25(33-15-34-27(26)32)21-13-19(30)14-23(16(21)2)35-28(38)20-7-6-18(12-22(20)31)17-4-5-17/h3,6-7,12-15,17H,1,4-5,8-11H2,2H3,(H,35,38)(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	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259415 (US10457647, Example 14 | US11180460, Example 14 | ...) Show SMILES CCN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C28H29F2N5O3/c1-4-24(36)35(5-2)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)3)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h4,8-9,12-15,17H,1,5-7,10-11H2,2-3H3,(H,34,37)(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	1	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259434 (US10457647, Example 33 | US11180460, Example 33 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCN1C(=O)C=C |r| Show InChI InChI=1S/C28H27F2N5O3/c1-3-24(36)35-9-8-19(35)13-38-26-25(32-14-33-27(26)31)21-11-18(29)12-23(15(21)2)34-28(37)20-7-6-17(10-22(20)30)16-4-5-16/h3,6-7,10-12,14,16,19H,1,4-5,8-9,13H2,2H3,(H,34,37)(H2,31,32,33)/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	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259407 (US10457647, Example 6 | US11180460, Example 6 | US...) Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259441 (US10457647, Example 40 | US11180460, Example 40 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@@H](CN1C(=O)C=C)C#N |r| Show InChI InChI=1S/C30H28F2N6O3/c1-3-26(39)38-13-17(12-33)8-21(38)14-41-28-27(35-15-36-29(28)34)23-10-20(31)11-25(16(23)2)37-30(40)22-7-6-19(9-24(22)32)18-4-5-18/h3,6-7,9-11,15,17-18,21H,1,4-5,8,13-14H2,2H3,(H,37,40)(H2,34,35,36)/t17-,21+/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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259422 (US10457647, Example 21 | US11180460, Example 21 | ...) Show SMILES CN(CCCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C28H29F2N5O3/c1-4-24(36)35(3)10-5-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h4,8-9,12-15,17H,1,5-7,10-11H2,2-3H3,(H,34,37)(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	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259439 (US10457647, Example 38 | US11180460, Example 38 | ...) Show SMILES CO[C@H]1CCN([C@@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O4/c1-4-26(38)37-10-9-25(40-3)24(37)14-41-28-27(34-15-35-29(28)33)21-12-19(31)13-23(16(21)2)36-30(39)20-8-7-18(11-22(20)32)17-5-6-17/h4,7-8,11-13,15,17,24-25H,1,5-6,9-10,14H2,2-3H3,(H,36,39)(H2,33,34,35)/t24-,25+/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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259402 (US10457647, Example 1 | US11180460, Example 1 | US...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C=C Show InChI InChI=1S/C27H25F2N5O3/c1-3-23(35)34-11-18(12-34)37-25-24(31-13-32-26(25)30)20-9-17(28)10-22(14(20)2)33-27(36)19-7-6-16(8-21(19)29)15-4-5-15/h3,6-10,13,15,18H,1,4-5,11-12H2,2H3,(H,33,36)(H2,30,31,32)	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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259432 (US10457647, Example 31 | US11180460, Example 31 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@@H](F)CN1C(=O)C=C |r| Show InChI InChI=1S/C29H28F3N5O3/c1-3-25(38)37-12-19(31)9-20(37)13-40-27-26(34-14-35-28(27)33)22-10-18(30)11-24(15(22)2)36-29(39)21-7-6-17(8-23(21)32)16-4-5-16/h3,6-8,10-11,14,16,19-20H,1,4-5,9,12-13H2,2H3,(H,36,39)(H2,33,34,35)/t19-,20+/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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259436 (US10457647, Example 35 | US11180460, Example 35 | ...) Show SMILES Nc1ncnc(c1OC[C@@H]1CCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r| Show InChI InChI=1S/C30H30FN5O4/c1-2-26(38)35-10-8-21(35)15-40-28-27(33-16-34-29(28)32)23-12-20(31)13-25(24(23)14-37)36-9-7-19-11-18(17-3-4-17)5-6-22(19)30(36)39/h2,5-6,11-13,16-17,21,37H,1,3-4,7-10,14-15H2,(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	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259409 (US10457647, Example 8 | US11180460, Example 8 | US...) Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C#C Show InChI InChI=1S/C27H25F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h1,7-8,11-14,16H,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)	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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259435 (US10457647, Example 34 | US11180460, Example 34 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCN1C(=O)C#C |r| Show InChI InChI=1S/C28H25F2N5O3/c1-3-24(36)35-9-8-19(35)13-38-26-25(32-14-33-27(26)31)21-11-18(29)12-23(15(21)2)34-28(37)20-7-6-17(10-22(20)30)16-4-5-16/h1,6-7,10-12,14,16,19H,4-5,8-9,13H2,2H3,(H,34,37)(H2,31,32,33)/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	2	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259428 (US10457647, Example 27 | US11180460, Example 27 | ...) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC |r| Show InChI InChI=1S/C31H31F2N5O4/c1-4-5-27(39)38-14-22(41-3)13-21(38)15-42-29-28(35-16-36-30(29)34)24-11-20(32)12-26(17(24)2)37-31(40)23-9-8-19(10-25(23)33)18-6-7-18/h8-12,16,18,21-22H,6-7,13-15H2,1-3H3,(H,37,40)(H2,34,35,36)/t21-,22+/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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259406 (US10457647, Example 5 | US11180460, Example 5 | US...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C29H29F2N5O3/c1-3-25(37)36-10-8-20(9-11-36)39-27-26(33-15-34-28(27)32)22-13-19(30)14-24(16(22)2)35-29(38)21-7-6-18(12-23(21)31)17-4-5-17/h3,6-7,12-15,17,20H,1,4-5,8-11H2,2H3,(H,35,38)(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	4	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259433 (US10457647, Example 32 | US11180460, Example 32 | ...) Show SMILES CC#CC(=O)N1C[C@H](F)C[C@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C30H28F3N5O3/c1-3-4-26(39)38-13-20(32)10-21(38)14-41-28-27(35-15-36-29(28)34)23-11-19(31)12-25(16(23)2)37-30(40)22-8-7-18(9-24(22)33)17-5-6-17/h7-9,11-12,15,17,20-21H,5-6,10,13-14H2,1-2H3,(H,37,40)(H2,34,35,36)/t20-,21+/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	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259430 (US10457647, Example 29 | US11180460, Example 29 | ...) Show SMILES CO[C@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O4/c1-4-26(38)37-13-21(40-3)12-20(37)14-41-28-27(34-15-35-29(28)33)23-10-19(31)11-25(16(23)2)36-30(39)22-8-7-18(9-24(22)32)17-5-6-17/h4,7-11,15,17,20-21H,1,5-6,12-14H2,2-3H3,(H,36,39)(H2,33,34,35)/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	4	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259411 (US10457647, Example 10 | US11180460, Example 10 | ...) Show SMILES CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)35(3)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,34,37)(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	4	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259418 (US10457647, Example 17 | US11180460, Example 17 | ...) Show SMILES C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)NC(=O)C=C |r| Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)33-14(2)12-37-25-24(31-13-32-26(25)30)20-10-18(28)11-22(15(20)3)34-27(36)19-8-7-17(9-21(19)29)16-5-6-16/h4,7-11,13-14,16H,1,5-6,12H2,2-3H3,(H,33,35)(H,34,36)(H2,30,31,32)/t14-/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	5	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259421 (US10457647, Example 20 | US11180460, Example 20 | ...) Show SMILES CC#CC(=O)N(C)[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C29H29F2N5O3/c1-5-6-25(37)36(4)16(2)14-39-27-26(33-15-34-28(27)32)22-12-20(30)13-24(17(22)3)35-29(38)21-10-9-19(11-23(21)31)18-7-8-18/h9-13,15-16,18H,7-8,14H2,1-4H3,(H,35,38)(H2,32,33,34)/t16-/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	5	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259431 (US10457647, Example 30 | US11180460, Example 30 | ...) Show SMILES CO[C@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC |r| Show InChI InChI=1S/C31H31F2N5O4/c1-4-5-27(39)38-14-22(41-3)13-21(38)15-42-29-28(35-16-36-30(29)34)24-11-20(32)12-26(17(24)2)37-31(40)23-9-8-19(10-25(23)33)18-6-7-18/h8-12,16,18,21-22H,6-7,13-15H2,1-3H3,(H,37,40)(H2,34,35,36)/t21-,22-/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	6	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259414 (US10457647, Example 13 | US11180460, Example 13 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCCNC(=O)C=C Show InChI InChI=1S/C26H25F2N5O3/c1-3-22(34)30-8-9-36-24-23(31-13-32-25(24)29)19-11-17(27)12-21(14(19)2)33-26(35)18-7-6-16(10-20(18)28)15-4-5-15/h3,6-7,10-13,15H,1,4-5,8-9H2,2H3,(H,30,34)(H,33,35)(H2,29,31,32)	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	7	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259405 (US10457647, Example 4 | US11180460, Example 4 | US...) Show SMILES CC#CC(=O)N1CC(C1)Oc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C28H25F2N5O3/c1-3-4-24(36)35-12-19(13-35)38-26-25(32-14-33-27(26)31)21-10-18(29)11-23(15(21)2)34-28(37)20-8-7-17(9-22(20)30)16-5-6-16/h7-11,14,16,19H,5-6,12-13H2,1-2H3,(H,34,37)(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	9	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259410 (US10457647, Example 9 | US11180460, Example 9 | US...) Show SMILES COC\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C29H31F2N5O4/c1-17-22(26-27(28(32)34-16-33-26)40-12-10-36(2)25(37)5-4-11-39-3)14-20(30)15-24(17)35-29(38)21-9-8-19(13-23(21)31)18-6-7-18/h4-5,8-9,13-16,18H,6-7,10-12H2,1-3H3,(H,35,38)(H2,32,33,34)/b5-4+	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	10	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259412 (US10457647, Example 11 | US11180460, Example 11 | ...) Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C1CO1 Show InChI InChI=1S/C27H27F2N5O4/c1-14-19(23-24(25(30)32-13-31-23)37-8-7-34(2)27(36)22-12-38-22)10-17(28)11-21(14)33-26(35)18-6-5-16(9-20(18)29)15-3-4-15/h5-6,9-11,13,15,22H,3-4,7-8,12H2,1-2H3,(H,33,35)(H2,30,31,32)	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	10	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259413 (US10457647, Example 12 | US11180460, Example 12 | ...) Show SMILES CN(CCOc1c(N)ncnc1-c1cccc(c1)-n1ccc2cc(cc(F)c2c1=O)C1CC1)C(=O)C=C Show InChI InChI=1S/C28H26FN5O3/c1-3-23(35)33(2)11-12-37-26-25(31-16-32-27(26)30)19-5-4-6-21(14-19)34-10-9-18-13-20(17-7-8-17)15-22(29)24(18)28(34)36/h3-6,9-10,13-17H,1,7-8,11-12H2,2H3,(H2,30,31,32)	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	12	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259417 (US10457647, Example 16 | US11180460, Example 16 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCC1(CC1)NC(=O)C=C Show InChI InChI=1S/C28H27F2N5O3/c1-3-23(36)35-28(8-9-28)13-38-25-24(32-14-33-26(25)31)20-11-18(29)12-22(15(20)2)34-27(37)19-7-6-17(10-21(19)30)16-4-5-16/h3,6-7,10-12,14,16H,1,4-5,8-9,13H2,2H3,(H,34,37)(H,35,36)(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	15	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259420 (US10457647, Example 19 | US11180460, Example 19 | ...) Show SMILES C[C@@H](COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)N(C)C(=O)C=C |r| Show InChI InChI=1S/C28H29F2N5O3/c1-5-24(36)35(4)15(2)13-38-26-25(32-14-33-27(26)31)21-11-19(29)12-23(16(21)3)34-28(37)20-9-8-18(10-22(20)30)17-6-7-17/h5,8-12,14-15,17H,1,6-7,13H2,2-4H3,(H,34,37)(H2,31,32,33)/t15-/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	16	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259437 (US10457647, Example 36 | US11180460, Example 36 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@H]1CCN1C(=O)C=C |r| Show InChI InChI=1S/C28H27F2N5O3/c1-3-24(36)35-9-8-19(35)13-38-26-25(32-14-33-27(26)31)21-11-18(29)12-23(15(21)2)34-28(37)20-7-6-17(10-22(20)30)16-4-5-16/h3,6-7,10-12,14,16,19H,1,4-5,8-9,13H2,2H3,(H,34,37)(H2,31,32,33)/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	17	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259438 (US10457647, Example 37 | US11180460, Example 37 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O3/c1-3-26(38)37-10-4-5-18(14-37)15-40-28-27(34-16-35-29(28)33)23-12-21(31)13-25(17(23)2)36-30(39)22-9-8-20(11-24(22)32)19-6-7-19/h3,8-9,11-13,16,18-19H,1,4-7,10,14-15H2,2H3,(H,36,39)(H2,33,34,35)/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	32	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259403 (US10457647, Example 2 | US11180460, Example 2 | US...) Show SMILES C\C=C\C(=O)N1CC(C1)Oc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C28H27F2N5O3/c1-3-4-24(36)35-12-19(13-35)38-26-25(32-14-33-27(26)31)21-10-18(29)11-23(15(21)2)34-28(37)20-8-7-17(9-22(20)30)16-5-6-16/h3-4,7-11,14,16,19H,5-6,12-13H2,1-2H3,(H,34,37)(H2,31,32,33)/b4-3+	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	38	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259408 (US10457647, Example 7 | US11180460, Example 7 | US...) Show SMILES C\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C28H29F2N5O3/c1-4-5-24(36)35(3)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,34,37)(H2,31,32,33)/b5-4+	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	42	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair