Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 6312   

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))	BDBM122417 (US8729078, I-27) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)S(C)(=O)=O)n3)c2=O)c1 Show InChI InChI=1S/C30H29FN6O5S/c1-30(2,3)18-12-17-14-33-37(29(40)26(17)23(31)13-18)25-7-5-6-24(22(25)16-38)36-15-21(27(32)39)28(35-36)34-19-8-10-20(11-9-19)43(4,41)42/h5-15,38H,16H2,1-4H3,(H2,32,39)(H,34,35)	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	0.0900	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122415 (US8729078, I-25) Show SMILES CN1CCn2nc(Nc3nn(cc3C(N)=O)-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)cc2C1 Show InChI InChI=1S/C30H32FN9O3/c1-30(2,3)18-10-17-13-33-40(29(43)26(17)22(31)11-18)24-7-5-6-23(21(24)16-41)39-15-20(27(32)42)28(36-39)34-25-12-19-14-37(4)8-9-38(19)35-25/h5-7,10-13,15,41H,8-9,14,16H2,1-4H3,(H2,32,42)(H,34,35,36)	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	0.0900	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122442 (US8729078, I-53) Show SMILES CC(=O)c1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)cc1 Show InChI InChI=1S/C31H30N6O4/c1-18(39)19-8-11-22(12-9-19)34-29-24(28(32)40)16-36(35-29)26-6-5-7-27(25(26)17-38)37-30(41)23-13-10-21(31(2,3)4)14-20(23)15-33-37/h5-16,38H,17H2,1-4H3,(H2,32,40)(H,34,35)	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	0.120	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122428 (US8729078, I-38) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)S(C)(=O)=O)n3)c2=O)c1 Show InChI InChI=1S/C29H28FN7O5S/c1-29(2,3)17-10-16-12-33-37(28(40)25(16)21(30)11-17)23-7-5-6-22(20(23)15-38)36-14-19(26(31)39)27(35-36)34-24-9-8-18(13-32-24)43(4,41)42/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)	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	0.170	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122429 (US8729078, I-39) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C#N)n3)c2=O)c1 Show InChI InChI=1S/C29H25FN8O3/c1-29(2,3)18-9-17-13-34-38(28(41)25(17)21(30)10-18)23-6-4-5-22(20(23)15-39)37-14-19(26(32)40)27(36-37)35-24-8-7-16(11-31)12-33-24/h4-10,12-14,39H,15H2,1-3H3,(H2,32,40)(H,33,35,36)	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	0.180	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122414 (US8729078, I-24) Show SMILES CC(C)(CN1CCC1)Oc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C35H39FN8O4/c1-34(2,3)22-14-21-16-39-44(33(47)30(21)26(36)15-22)28-9-6-8-27(25(28)19-45)43-18-24(31(37)46)32(41-43)40-29-11-10-23(17-38-29)48-35(4,5)20-42-12-7-13-42/h6,8-11,14-18,45H,7,12-13,19-20H2,1-5H3,(H2,37,46)(H,38,40,41)	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	0.180	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122418 (US8729078, I-28) Show SMILES Cn1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)n1 Show InChI InChI=1S/C27H27FN8O3/c1-27(2,3)16-10-15-12-30-36(26(39)23(15)19(28)11-16)21-7-5-6-20(18(21)14-37)35-13-17(24(29)38)25(33-35)31-22-8-9-34(4)32-22/h5-13,37H,14H2,1-4H3,(H2,29,38)(H,31,32,33)	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	0.220	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122423 (US8729078, I-33) Show SMILES Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C29H28FN7O3/c1-16-8-9-24(32-12-16)34-27-19(26(31)39)14-36(35-27)22-6-5-7-23(20(22)15-38)37-28(40)25-17(13-33-37)10-18(11-21(25)30)29(2,3)4/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)	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	0.240	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122420 (US8729078, I-30) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H25F2N7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)	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	0.240	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122413 (US8729078, I-23) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(Cl)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H25ClFN7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)	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	0.290	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122421 (US8729078, I-31) Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nn1C Show InChI InChI=1S/C28H29FN8O3/c1-15-9-23(33-35(15)5)32-26-18(25(30)39)13-36(34-26)21-7-6-8-22(19(21)14-38)37-27(40)24-16(12-31-37)10-17(11-20(24)29)28(2,3)4/h6-13,38H,14H2,1-5H3,(H2,30,39)(H,32,33,34)	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	0.290	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122416 (US8729078, I-26) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1 Show InChI InChI=1S/C28H26FN7O3/c1-28(2,3)17-11-16-13-32-36(27(39)24(16)20(29)12-17)22-8-6-7-21(19(22)15-37)35-14-18(25(30)38)26(34-35)33-23-9-4-5-10-31-23/h4-14,37H,15H2,1-3H3,(H2,30,38)(H,31,33,34)	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	0.360	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122444 (US8729078, I-55) Show SMILES CN(C)Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C31H34N8O3/c1-31(2,3)21-10-11-22-20(13-21)15-34-39(30(22)42)26-8-6-7-25(24(26)18-40)38-17-23(28(32)41)29(36-38)35-27-12-9-19(14-33-27)16-37(4)5/h6-15,17,40H,16,18H2,1-5H3,(H2,32,41)(H,33,35,36)	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	0.390	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122419 (US8729078, I-29) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1 Show InChI InChI=1S/C27H25FN8O3/c1-27(2,3)16-9-15-11-32-36(26(39)23(15)19(28)10-16)21-6-4-5-20(18(21)14-37)35-13-17(24(29)38)25(34-35)33-22-12-30-7-8-31-22/h4-13,37H,14H2,1-3H3,(H2,29,38)(H,31,33,34)	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	0.430	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122424 (US8729078, I-34) Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nn1C Show InChI InChI=1S/C28H30N8O3/c1-16-11-24(32-34(16)5)31-26-20(25(29)38)14-35(33-26)22-7-6-8-23(21(22)15-37)36-27(39)19-10-9-18(28(2,3)4)12-17(19)13-30-36/h6-14,37H,15H2,1-5H3,(H2,29,38)(H,31,32,33)	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	0.510	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122425 (US8729078, I-35) Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H26FN7O3/c1-28(2,3)17-7-9-19-16(11-17)12-32-36(27(19)39)23-6-4-5-22(21(23)15-37)35-14-20(25(30)38)26(34-35)33-24-10-8-18(29)13-31-24/h4-14,37H,15H2,1-3H3,(H2,30,38)(H,31,33,34)	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	0.560	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122422 (US8729078, I-32) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C(F)(F)F)n3)c2=O)c1 Show InChI InChI=1S/C29H25F4N7O3/c1-28(2,3)17-9-15-11-36-40(27(43)24(15)20(30)10-17)22-6-4-5-21(19(22)14-41)39-13-18(25(34)42)26(38-39)37-23-8-7-16(12-35-23)29(31,32)33/h4-13,41H,14H2,1-3H3,(H2,34,42)(H,35,37,38)	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	0.570	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122426 (US8729078, I-36) Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1 Show InChI InChI=1S/C27H26N8O3/c1-27(2,3)17-7-8-18-16(11-17)12-31-35(26(18)38)22-6-4-5-21(20(22)15-36)34-14-19(24(28)37)25(33-34)32-23-13-29-9-10-30-23/h4-14,36H,15H2,1-3H3,(H2,28,37)(H,30,32,33)	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	0.830	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122443 (US8729078, I-54) Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1 Show InChI InChI=1S/C28H27N7O3/c1-28(2,3)18-10-11-19-17(13-18)14-31-35(27(19)38)23-8-6-7-22(21(23)16-36)34-15-20(25(29)37)26(33-34)32-24-9-4-5-12-30-24/h4-15,36H,16H2,1-3H3,(H2,29,37)(H,30,32,33)	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	0.950	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122427 (US8729078, I-37) Show SMILES Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C29H29N7O3/c1-17-8-11-25(31-13-17)33-27-21(26(30)38)15-35(34-27)23-6-5-7-24(22(23)16-37)36-28(39)20-10-9-19(29(2,3)4)12-18(20)14-32-36/h5-15,37H,16H2,1-4H3,(H2,30,38)(H,31,33,34)	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	1.13	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122403 (US8729078, I-9) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C Show InChI InChI=1S/C25H25FN4O3/c1-25(2,3)16-8-14-11-28-30(24(33)22(14)19(26)10-16)20-7-5-6-17(18(20)13-31)15-9-21(23(27)32)29(4)12-15/h5-12,31H,13H2,1-4H3,(H2,27,32)	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	2.51	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122433 (US8729078, I-43) Show SMILES CN1CCN(CC1)c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O Show InChI InChI=1S/C32H34FN7O3/c1-32(2,3)20-14-19-16-35-40(31(43)28(19)24(33)15-20)26-7-5-6-25(23(26)18-41)39-17-22(29(34)42)21-8-9-27(36-30(21)39)38-12-10-37(4)11-13-38/h5-9,14-17,41H,10-13,18H2,1-4H3,(H2,34,42)	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	2.83	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122409 (US8729078, I-15) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cccnc34)c2=O)c1 Show InChI InChI=1S/C27H24FN5O3/c1-27(2,3)16-10-15-12-31-33(26(36)23(15)20(28)11-16)22-8-4-7-21(19(22)14-34)32-13-18(24(29)35)17-6-5-9-30-25(17)32/h4-13,34H,14H2,1-3H3,(H2,29,35)	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	3.20	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122411 (US8729078, I-17) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccccc34)c2=O)c1 Show InChI InChI=1S/C28H25FN4O3/c1-28(2,3)17-11-16-13-31-33(27(36)25(16)21(29)12-17)24-10-6-9-23(20(24)15-34)32-14-19(26(30)35)18-7-4-5-8-22(18)32/h4-14,34H,15H2,1-3H3,(H2,30,35)	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	4.10	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122432 (US8729078, I-42) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cncnc34)c2=O)c1 Show InChI InChI=1S/C26H23FN6O3/c1-26(2,3)15-7-14-9-31-33(25(36)22(14)19(27)8-15)21-6-4-5-20(18(21)12-34)32-11-17(23(28)35)16-10-29-13-30-24(16)32/h4-11,13,34H,12H2,1-3H3,(H2,28,35)	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	7.32	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122438 (US8729078, I-48) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(Br)nc34)c2=O)c1 Show InChI InChI=1S/C27H23BrFN5O3/c1-27(2,3)15-9-14-11-31-34(26(37)23(14)19(29)10-15)21-6-4-5-20(18(21)13-35)33-12-17(24(30)36)16-7-8-22(28)32-25(16)33/h4-12,35H,13H2,1-3H3,(H2,30,36)	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	7.74	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122434 (US8729078, I-44) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCOCC3)c2=O)c1 Show InChI InChI=1S/C31H31FN6O4/c1-31(2,3)19-13-18-15-34-38(30(41)27(18)23(32)14-19)25-6-4-5-24(22(25)17-39)37-16-21(28(33)40)20-7-8-26(35-29(20)37)36-9-11-42-12-10-36/h4-8,13-16,39H,9-12,17H2,1-3H3,(H2,33,40)	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	10.3	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122435 (US8729078, I-45) Show SMILES CCOc1ccc(cn1)-c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O Show InChI InChI=1S/C34H31FN6O4/c1-5-45-29-12-9-19(15-37-29)26-11-10-22-23(31(36)43)17-40(32(22)39-26)27-7-6-8-28(24(27)18-42)41-33(44)30-20(16-38-41)13-21(14-25(30)35)34(2,3)4/h6-17,42H,5,18H2,1-4H3,(H2,36,43)	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	11.0	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122399 (US8729078, I-4) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C(C)(C)C Show InChI InChI=1S/C25H26N4O3/c1-25(2,3)17-8-9-19-15(10-17)12-27-29(24(19)32)21-7-5-6-18(20(21)14-30)16-11-22(23(26)31)28(4)13-16/h5-13,30H,14H2,1-4H3,(H2,26,31)	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	11.6	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122440 (US8729078, I-50) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCS(=O)(=O)CC3)c2=O)c1 Show InChI InChI=1S/C31H31FN6O5S/c1-31(2,3)19-13-18-15-34-38(30(41)27(18)23(32)14-19)25-6-4-5-24(22(25)17-39)37-16-21(28(33)40)20-7-8-26(35-29(20)37)36-9-11-44(42,43)12-10-36/h4-8,13-16,39H,9-12,17H2,1-3H3,(H2,33,40)	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	12.7	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122439 (US8729078, I-49) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)C(O)CO)c2=O)c1 Show InChI InChI=1S/C29H28FN5O5/c1-29(2,3)16-9-15-11-32-35(28(40)25(15)20(30)10-16)23-6-4-5-22(19(23)13-36)34-12-18(26(31)39)17-7-8-21(24(38)14-37)33-27(17)34/h4-12,24,36-38H,13-14H2,1-3H3,(H2,31,39)	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	13.9	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122436 (US8729078, I-46) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)-c3ccccc3F)c2=O)c1 Show InChI InChI=1S/C33H27F2N5O3/c1-33(2,3)19-13-18-15-37-40(32(43)29(18)25(35)14-19)28-10-6-9-27(23(28)17-41)39-16-22(30(36)42)20-11-12-26(38-31(20)39)21-7-4-5-8-24(21)34/h4-16,41H,17H2,1-3H3,(H2,36,42)	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	14.3	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122402 (US8729078, I-8) Show SMILES Cn1cc(nc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C Show InChI InChI=1S/C24H24FN5O3/c1-24(2,3)14-8-13-10-27-30(23(33)20(13)17(25)9-14)19-7-5-6-15(16(19)12-31)18-11-29(4)22(28-18)21(26)32/h5-11,31H,12H2,1-4H3,(H2,26,32)	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	18.2	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122410 (US8729078, I-16) Show SMILES Cn1cc(cc1C(N)=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C Show InChI InChI=1S/C24H24FN5O3/c1-24(2,3)15-7-13-10-28-30(23(33)20(13)18(25)9-15)22-17(12-31)16(5-6-27-22)14-8-19(21(26)32)29(4)11-14/h5-11,31H,12H2,1-4H3,(H2,26,32)	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	20	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122408 (US8729078, I-14) Show SMILES CN1Cc2cc(ccc2C(=O)N1c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C(C)(C)C Show InChI InChI=1S/C26H30N4O3/c1-26(2,3)18-9-10-20-16(11-18)14-29(5)30(25(20)33)22-8-6-7-19(21(22)15-31)17-12-23(24(27)32)28(4)13-17/h6-13,31H,14-15H2,1-5H3,(H2,27,32)	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	26.7	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122398 (US8729078, I-3) Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(-c4c[nH]c(c4)C(N)=O)c3CO)c2=O)c1 Show InChI InChI=1S/C24H24N4O3/c1-24(2,3)16-7-8-18-14(9-16)12-27-28(23(18)31)21-6-4-5-17(19(21)13-29)15-10-20(22(25)30)26-11-15/h4-12,26,29H,13H2,1-3H3,(H2,25,30)	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	27.0	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122437 (US8729078, I-47) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)-c3ccccc3Cl)c2=O)c1 Show InChI InChI=1S/C33H27ClFN5O3/c1-33(2,3)19-13-18-15-37-40(32(43)29(18)25(35)14-19)28-10-6-9-27(23(28)17-41)39-16-22(30(36)42)20-11-12-26(38-31(20)39)21-7-4-5-8-24(21)34/h4-16,41H,17H2,1-3H3,(H2,36,42)	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	28.4	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122407 (US8729078, I-13) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C25H22FN3O3/c1-28-12-17(11-22(28)24(27)31)18-3-2-4-21(19(18)13-30)29-8-7-15-9-16(14-5-6-14)10-20(26)23(15)25(29)32/h2-4,7-12,14,30H,5-6,13H2,1H3,(H2,27,31)	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	39.4	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122396 (US8729078, I-1) Show SMILES Cn1cc(nc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C(C)(C)C Show InChI InChI=1S/C24H25N5O3/c1-24(2,3)15-8-9-16-14(10-15)11-26-29(23(16)32)20-7-5-6-17(18(20)13-30)19-12-28(4)22(27-19)21(25)31/h5-12,30H,13H2,1-4H3,(H2,25,31)	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	50	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122405 (US8729078, I-11) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4coc(c4)C(N)=O)c3CO)c2=O)c1 Show InChI InChI=1S/C24H22FN3O4/c1-24(2,3)15-7-13-10-27-28(23(31)21(13)18(25)9-15)19-6-4-5-16(17(19)11-29)14-8-20(22(26)30)32-12-14/h4-10,12,29H,11H2,1-3H3,(H2,26,30)	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	51.4	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122412 (US8729078, I-22) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)C(C)(C)O)n3)c2=O)c1 Show InChI InChI=1S/C32H33FN6O4/c1-31(2,3)20-13-18-15-35-39(30(42)27(18)24(33)14-20)26-8-6-7-25(23(26)17-40)38-16-22(28(34)41)29(37-38)36-21-11-9-19(10-12-21)32(4,5)43/h6-16,40,43H,17H2,1-5H3,(H2,34,41)(H,36,37)	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	91.5	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122401 (US8729078, I-7) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4nc(cs4)C(N)=O)c3CO)c2=O)c1 Show InChI InChI=1S/C23H21FN4O3S/c1-23(2,3)13-7-12-9-26-28(22(31)19(12)16(24)8-13)18-6-4-5-14(15(18)10-29)21-27-17(11-32-21)20(25)30/h4-9,11,29H,10H2,1-3H3,(H2,25,30)	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	130	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122431 (US8729078, I-41) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(cn3)C(N)=O)c2=O)c1 Show InChI InChI=1S/C23H22FN5O3/c1-23(2,3)15-7-13-9-27-29(22(32)20(13)17(24)8-15)19-6-4-5-18(16(19)12-30)28-11-14(10-26-28)21(25)31/h4-11,30H,12H2,1-3H3,(H2,25,31)	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	268	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122397 (US8729078, I-2) Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(-c4nc(cs4)C(N)=O)c3CO)c2=O)c1 Show InChI InChI=1S/C23H22N4O3S/c1-23(2,3)14-7-8-15-13(9-14)10-25-27(22(15)30)19-6-4-5-16(17(19)11-28)21-26-18(12-31-21)20(24)29/h4-10,12,28H,11H2,1-3H3,(H2,24,29)	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	281	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122430 (US8729078, I-40) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3ccc(n3)C(N)=O)c2=O)c1 Show InChI InChI=1S/C23H22FN5O3/c1-23(2,3)14-9-13-11-26-29(22(32)20(13)16(24)10-14)19-6-4-5-18(15(19)12-30)28-8-7-17(27-28)21(25)31/h4-11,30H,12H2,1-3H3,(H2,25,31)	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	333	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122406 (US8729078, I-12) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(cc(CO)c2c1=O)C(C)(C)C Show InChI InChI=1S/C26H28N4O4/c1-26(2,3)18-8-15-11-28-30(25(34)23(15)17(9-18)13-31)21-7-5-6-19(20(21)14-32)16-10-22(24(27)33)29(4)12-16/h5-12,31-32H,13-14H2,1-4H3,(H2,27,33)	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	696	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122404 (US8729078, I-10) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc(o4)C(N)=O)c3CO)c2=O)c1 Show InChI InChI=1S/C24H22FN3O4/c1-24(2,3)14-9-13-11-27-28(23(31)21(13)17(25)10-14)18-6-4-5-15(16(18)12-29)19-7-8-20(32-19)22(26)30/h4-11,29H,12H2,1-3H3,(H2,26,30)	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	833	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122400 (US8729078, I-6) Show SMILES Cc1nc(oc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C(C)(C)C Show InChI InChI=1S/C24H24N4O4/c1-13-20(21(25)30)32-22(27-13)17-6-5-7-19(18(17)12-29)28-23(31)16-9-8-15(24(2,3)4)10-14(16)11-26-28/h5-11,29H,12H2,1-4H3,(H2,25,30)	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	1.26E+3	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122441 (US8729078, I-51) Show SMILES CN(C)CCNc1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O Show InChI InChI=1S/C31H34FN7O3/c1-31(2,3)19-13-18-15-35-39(30(42)27(18)23(32)14-19)25-8-6-7-24(22(25)17-40)38-16-21(28(33)41)20-9-10-26(36-29(20)38)34-11-12-37(4)5/h6-10,13-16,40H,11-12,17H2,1-5H3,(H2,33,41)(H,34,36)	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	3.56E+3	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM122445 (US8729078, I-56) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3)-n3cc(cn3)C(N)=O)c2=O)c1 Show InChI InChI=1S/C22H20FN5O2/c1-22(2,3)15-7-13-10-26-28(21(30)19(13)18(23)8-15)17-6-4-5-16(9-17)27-12-14(11-25-27)20(24)29/h4-12H,1-3H3,(H2,24,29)	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	3.70E+3	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...				US Patent US8729078 (2014) BindingDB Entry DOI: 10.7270/Q2W66JGX
					More data for this Ligand-Target Pair