Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50046859   

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))	BDBM50134365 (CHEMBL3745935) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1 Show InChI InChI=1S/C26H21F2N7O2S/c1-34-8-9-35-15(13-34)11-22(33-35)29-19-12-18(31-32-25(19)36)16-6-7-17(27)24(23(16)28)30-26(37)21-10-14-4-2-3-5-20(14)38-21/h2-7,10-12H,8-9,13H2,1H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134320 (CHEMBL3746293) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134377 (CHEMBL3745934) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 Show InChI InChI=1S/C32H32F2N6O3S/c1-38-14-15-39(2)31(42)28(38)18-8-10-20(11-9-18)35-29-32(43)40(3)17-23(36-29)21-12-13-22(33)27(26(21)34)37-30(41)25-16-19-6-4-5-7-24(19)44-25/h8-13,16-17,28H,4-7,14-15H2,1-3H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134377 (CHEMBL3745934) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 Show InChI InChI=1S/C32H32F2N6O3S/c1-38-14-15-39(2)31(42)28(38)18-8-10-20(11-9-18)35-29-32(43)40(3)17-23(36-29)21-12-13-22(33)27(26(21)34)37-30(41)25-16-19-6-4-5-7-24(19)44-25/h8-13,16-17,28H,4-7,14-15H2,1-3H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134366 (CHEMBL3746115) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H25N7O2S/c1-16-19(7-5-8-20(16)29-27(36)24-12-17-6-3-4-9-23(17)37-24)21-14-22(26(35)31-30-21)28-25-13-18-15-33(2)10-11-34(18)32-25/h3-9,12-14H,10-11,15H2,1-2H3,(H,29,36)(H,31,35)(H,28,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134368 (CHEMBL3746333) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cnc(cn4)C(C)(C)C)c3C)cc2C1 Show InChI InChI=1S/C27H30FN9O2/c1-15-17(6-7-18(28)24(15)32-25(38)21-12-30-22(13-29-21)27(2,3)4)19-11-20(26(39)34-33-19)31-23-10-16-14-36(5)8-9-37(16)35-23/h6-7,10-13H,8-9,14H2,1-5H3,(H,32,38)(H,34,39)(H,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134369 (CHEMBL3747417) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)cc2C1 Show InChI InChI=1S/C29H32FN7O2/c1-17-21(10-11-22(30)26(17)32-27(38)18-6-8-19(9-7-18)29(2,3)4)23-15-24(28(39)34-33-23)31-25-14-20-16-36(5)12-13-37(20)35-25/h6-11,14-15H,12-13,16H2,1-5H3,(H,32,38)(H,34,39)(H,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134371 (CHEMBL3747742) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1 Show InChI InChI=1S/C33H35ClN6O3S/c1-19-9-14-23(27(34)28(19)37-31(41)26-17-21-7-5-6-8-25(21)44-26)24-18-40(4)33(43)30(36-24)35-22-12-10-20(11-13-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134371 (CHEMBL3747742) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1 Show InChI InChI=1S/C33H35ClN6O3S/c1-19-9-14-23(27(34)28(19)37-31(41)26-17-21-7-5-6-8-25(21)44-26)24-18-40(4)33(43)30(36-24)35-22-12-10-20(11-13-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134383 (CHEMBL3747554) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1 Show InChI InChI=1S/C32H33ClN6O3S/c1-37-15-16-38(2)31(41)28(37)19-11-13-21(14-12-19)34-29-32(42)39(3)18-24(35-29)22-8-6-9-23(27(22)33)36-30(40)26-17-20-7-4-5-10-25(20)43-26/h6,8-9,11-14,17-18,28H,4-5,7,10,15-16H2,1-3H3,(H,34,35)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134385 (CHEMBL3745795) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2)cc1 Show InChI InChI=1S/C32H34N6O3S/c1-36-15-16-37(2)31(40)28(36)20-11-13-23(14-12-20)33-29-32(41)38(3)19-25(35-29)21-8-6-9-24(17-21)34-30(39)27-18-22-7-4-5-10-26(22)42-27/h6,8-9,11-14,17-19,28H,4-5,7,10,15-16H2,1-3H3,(H,33,35)(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134373 (CHEMBL3747315) Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 |r| Show InChI InChI=1S/C33H35FN6O3S/c1-19-9-14-23(27(34)28(19)37-31(41)26-17-21-7-5-6-8-25(21)44-26)24-18-40(4)33(43)30(36-24)35-22-12-10-20(11-13-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134374 (CHEMBL3747161) Show SMILES CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 |r| Show InChI InChI=1S/C33H35FN6O3S/c1-19-9-14-23(27(34)28(19)37-31(41)26-17-21-7-5-6-8-25(21)44-26)24-18-40(4)33(43)30(36-24)35-22-12-10-20(11-13-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134384 (CHEMBL3746128) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2F)cc1 Show InChI InChI=1S/C32H33FN6O3S/c1-37-15-16-38(2)31(41)28(37)19-11-13-21(14-12-19)34-29-32(42)39(3)18-24(35-29)22-8-6-9-23(27(22)33)36-30(40)26-17-20-7-4-5-10-25(20)43-26/h6,8-9,11-14,17-18,28H,4-5,7,10,15-16H2,1-3H3,(H,34,35)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134380 (CHEMBL3747551) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2)cc1 Show InChI InChI=1S/C32H33FN6O3S/c1-37-14-15-38(2)31(41)28(37)19-8-11-22(12-9-19)34-29-32(42)39(3)18-25(35-29)20-10-13-23(33)24(16-20)36-30(40)27-17-21-6-4-5-7-26(21)43-27/h8-13,16-18,28H,4-7,14-15H2,1-3H3,(H,34,35)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134372 (CHEMBL3747268) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 Show InChI InChI=1S/C32H32ClFN6O3S/c1-38-14-15-39(2)31(42)28(38)18-8-10-20(11-9-18)35-29-32(43)40(3)17-23(36-29)21-12-13-22(33)27(26(21)34)37-30(41)25-16-19-6-4-5-7-24(19)44-25/h8-13,16-17,28H,4-7,14-15H2,1-3H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134372 (CHEMBL3747268) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2F)cc1 Show InChI InChI=1S/C32H32ClFN6O3S/c1-38-14-15-39(2)31(42)28(38)18-8-10-20(11-9-18)35-29-32(43)40(3)17-23(36-29)21-12-13-22(33)27(26(21)34)37-30(41)25-16-19-6-4-5-7-24(19)44-25/h8-13,16-17,28H,4-7,14-15H2,1-3H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134380 (CHEMBL3747551) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2)cc1 Show InChI InChI=1S/C32H33FN6O3S/c1-37-14-15-38(2)31(41)28(37)19-8-11-22(12-9-19)34-29-32(42)39(3)18-25(35-29)20-10-13-23(33)24(16-20)36-30(40)27-17-21-6-4-5-7-26(21)43-27/h8-13,16-18,28H,4-7,14-15H2,1-3H3,(H,34,35)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134323 (CHEMBL3746036) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)cc2C1 Show InChI InChI=1S/C26H22FN7O2S/c1-33-8-9-34-17(14-33)12-24(32-34)28-21-13-19(30-31-25(21)35)15-6-7-18(27)20(10-15)29-26(36)23-11-16-4-2-3-5-22(16)37-23/h2-7,10-13H,8-9,14H2,1H3,(H,29,36)(H,31,35)(H,28,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134324 (CHEMBL3747019) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-7-8-18(24(28)25(15)30-27(37)22-11-16-5-3-4-6-21(16)38-22)19-13-20(26(36)32-31-19)29-23-12-17-14-34(2)9-10-35(17)33-23/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388183 (CHEMBL2057915) Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r| Show InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134375 (CHEMBL3747322) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H35FN6O3S/c1-19-23(13-14-24(34)28(19)37-31(41)27-17-21-7-5-6-8-26(21)44-27)25-18-40(4)33(43)30(36-25)35-22-11-9-20(10-12-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134375 (CHEMBL3747322) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(F)c(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H35FN6O3S/c1-19-23(13-14-24(34)28(19)37-31(41)27-17-21-7-5-6-8-26(21)44-27)25-18-40(4)33(43)30(36-25)35-22-11-9-20(10-12-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50134320 (CHEMBL3746293) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BMX (unknown origin)				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134376 (CHEMBL3747672) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1 Show InChI InChI=1S/C32H32Cl2N6O3S/c1-38-14-15-39(2)31(42)28(38)18-8-10-20(11-9-18)35-29-32(43)40(3)17-23(36-29)21-12-13-22(33)27(26(21)34)37-30(41)25-16-19-6-4-5-7-24(19)44-25/h8-13,16-17,28H,4-7,14-15H2,1-3H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134365 (CHEMBL3745935) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1 Show InChI InChI=1S/C26H21F2N7O2S/c1-34-8-9-35-15(13-34)11-22(33-35)29-19-12-18(31-32-25(19)36)16-6-7-17(27)24(23(16)28)30-26(37)21-10-14-4-2-3-5-20(14)38-21/h2-7,10-12H,8-9,13H2,1H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134364 (CHEMBL3746971) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C28H27N7O2S/c1-16-8-9-20(17(2)26(16)30-28(37)24-12-18-6-4-5-7-23(18)38-24)21-14-22(27(36)32-31-21)29-25-13-19-15-34(3)10-11-35(19)33-25/h4-9,12-14H,10-11,15H2,1-3H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134370 (CHEMBL3746820) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C34H38N6O3S/c1-20-10-15-25(21(2)29(20)37-32(41)28-18-23-8-6-7-9-27(23)44-28)26-19-40(5)34(43)31(36-26)35-24-13-11-22(12-14-24)30-33(42)39(4)17-16-38(30)3/h10-15,18-19,30H,6-9,16-17H2,1-5H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134366 (CHEMBL3746115) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H25N7O2S/c1-16-19(7-5-8-20(16)29-27(36)24-12-17-6-3-4-9-23(17)37-24)21-14-22(26(35)31-30-21)28-25-13-18-15-33(2)10-11-34(18)32-25/h3-9,12-14H,10-11,15H2,1-2H3,(H,29,36)(H,31,35)(H,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134323 (CHEMBL3746036) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)cc2C1 Show InChI InChI=1S/C26H22FN7O2S/c1-33-8-9-34-17(14-33)12-24(32-34)28-21-13-19(30-31-25(21)35)15-6-7-18(27)20(10-15)29-26(36)23-11-16-4-2-3-5-22(16)37-23/h2-7,10-13H,8-9,14H2,1H3,(H,29,36)(H,31,35)(H,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134369 (CHEMBL3747417) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)cc2C1 Show InChI InChI=1S/C29H32FN7O2/c1-17-21(10-11-22(30)26(17)32-27(38)18-6-8-19(9-7-18)29(2,3)4)23-15-24(28(39)34-33-23)31-25-14-20-16-36(5)12-13-37(20)35-25/h6-11,14-15H,12-13,16H2,1-5H3,(H,32,38)(H,34,39)(H,31,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134381 (CHEMBL3746205) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2)cc1 Show InChI InChI=1S/C32H33ClN6O3S/c1-37-14-15-38(2)31(41)28(37)19-8-11-22(12-9-19)34-29-32(42)39(3)18-25(35-29)20-10-13-23(33)24(16-20)36-30(40)27-17-21-6-4-5-7-26(21)43-27/h8-13,16-18,28H,4-7,14-15H2,1-3H3,(H,34,35)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134379 (CHEMBL3746575) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(Cl)c(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H35ClN6O3S/c1-19-23(13-14-24(34)28(19)37-31(41)27-17-21-7-5-6-8-26(21)44-27)25-18-40(4)33(43)30(36-25)35-22-11-9-20(10-12-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134368 (CHEMBL3746333) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cnc(cn4)C(C)(C)C)c3C)cc2C1 Show InChI InChI=1S/C27H30FN9O2/c1-15-17(6-7-18(28)24(15)32-25(38)21-12-30-22(13-29-21)27(2,3)4)19-11-20(26(39)34-33-19)31-23-10-16-14-36(5)8-9-37(16)35-23/h6-7,10-13H,8-9,14H2,1-5H3,(H,32,38)(H,34,39)(H,31,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134320 (CHEMBL3746293) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134321 (CHEMBL3747130) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5cccnc5s4)c3C)cc2C1 Show InChI InChI=1S/C26H23FN8O2S/c1-14-17(5-6-18(27)23(14)30-25(37)21-10-15-4-3-7-28-26(15)38-21)19-12-20(24(36)32-31-19)29-22-11-16-13-34(2)8-9-35(16)33-22/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134322 (CHEMBL3746854) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ncccc5s4)c3C)cc2C1 Show InChI InChI=1S/C26H23FN8O2S/c1-14-16(5-6-17(27)24(14)30-26(37)22-12-19-21(38-22)4-3-7-28-19)18-11-20(25(36)32-31-18)29-23-10-15-13-34(2)8-9-35(15)33-23/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134324 (CHEMBL3747019) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-7-8-18(24(28)25(15)30-27(37)22-11-16-5-3-4-6-21(16)38-22)19-13-20(26(36)32-31-19)29-23-12-17-14-34(2)9-10-35(17)33-23/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM50134320 (CHEMBL3746293) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TEC (unknown origin)				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134364 (CHEMBL3746971) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(C)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C28H27N7O2S/c1-16-8-9-20(17(2)26(16)30-28(37)24-12-18-6-4-5-7-23(18)38-24)21-14-22(27(36)32-31-21)29-25-13-19-15-34(3)10-11-35(19)33-25/h4-9,12-14H,10-11,15H2,1-3H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134322 (CHEMBL3746854) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ncccc5s4)c3C)cc2C1 Show InChI InChI=1S/C26H23FN8O2S/c1-14-16(5-6-17(27)24(14)30-26(37)22-12-19-21(38-22)4-3-7-28-19)18-11-20(25(36)32-31-18)29-23-10-15-13-34(2)8-9-35(15)33-23/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM50134321 (CHEMBL3747130) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5cccnc5s4)c3C)cc2C1 Show InChI InChI=1S/C26H23FN8O2S/c1-14-17(5-6-18(27)23(14)30-25(37)21-10-15-4-3-7-28-26(15)38-21)19-12-20(24(36)32-31-19)29-22-11-16-13-34(2)8-9-35(16)33-22/h3-7,10-12H,8-9,13H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50134320 (CHEMBL3746293) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	924	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of Src (unknown origin)				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50134320 (CHEMBL3746293) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of FGR (unknown origin)				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134382 (CHEMBL3746848) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C#N)c(NC(=O)c3cc4CCCCc4s3)c2)cc1 Show InChI InChI=1S/C33H33N7O3S/c1-38-14-15-39(2)32(42)29(38)20-10-12-24(13-11-20)35-30-33(43)40(3)19-26(36-30)21-8-9-23(18-34)25(16-21)37-31(41)28-17-22-6-4-5-7-27(22)44-28/h8-13,16-17,19,29H,4-7,14-15H2,1-3H3,(H,35,36)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50134320 (CHEMBL3746293) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1 Show InChI InChI=1S/C27H24FN7O2S/c1-15-18(7-8-19(28)25(15)30-27(37)23-11-16-5-3-4-6-22(16)38-23)20-13-21(26(36)32-31-20)29-24-12-17-14-34(2)9-10-35(17)33-24/h3-8,11-13H,9-10,14H2,1-2H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin)				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair