Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'macaluso' and Initial = 'j'   

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))	BDBM111939 (US8618107, 105) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged BTK expressed in baculovirus expression system by Z-LYTE assay				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015453 (CHEMBL3265037) Show SMILES COc1cc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)ccc1N1CCOCC1 Show InChI InChI=1S/C24H23N7O2/c1-32-22-13-18(4-5-21(22)30-8-10-33-11-9-30)27-23-24-25-6-7-31(24)15-20(28-23)16-2-3-17-14-26-29-19(17)12-16/h2-7,12-15H,8-11H2,1H3,(H,26,29)(H,27,28)	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	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015454 (CHEMBL3264995) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC Show InChI InChI=1S/C28H23N5O5/c1-37-23-11-10-21(15-24(23)38-2)30-25-26-29-12-13-33(26)16-22(32-25)18-4-3-5-19(14-18)27(34)31-20-8-6-17(7-9-20)28(35)36/h3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM111938 (US8618107, 104) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO Show InChI InChI=1S/C28H27N5O3S/c1-32-14-17(13-22(27(32)35)31-25-9-11-29-16-30-25)18-6-4-7-23(21(18)15-34)33-12-10-20-19-5-2-3-8-24(19)37-26(20)28(33)36/h4,6-7,9,11,13-14,16,34H,2-3,5,8,10,12,15H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015447 (CHEMBL3265031) Show SMILES CC1(O)CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C25H25N7O/c1-25(33)8-11-31(12-9-25)20-6-4-19(5-7-20)28-23-24-26-10-13-32(24)16-22(29-23)17-2-3-18-15-27-30-21(18)14-17/h2-7,10,13-16,33H,8-9,11-12H2,1H3,(H,27,30)(H,28,29)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015460 (CHEMBL3265001) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)-c2nn[nH]n2)cc1OC Show InChI InChI=1S/C28H23N9O3/c1-39-23-11-10-21(15-24(23)40-2)30-26-27-29-12-13-37(27)16-22(32-26)18-4-3-5-19(14-18)28(38)31-20-8-6-17(7-9-20)25-33-35-36-34-25/h3-16H,1-2H3,(H,30,32)(H,31,38)(H,33,34,35,36)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111939 (US8618107, 105) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254236 (CHEMBL4090189) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C29H30N6O3/c1-29(2)13-18-12-24-28(38)35(10-9-34(24)25(18)14-29)23-6-4-5-20(21(23)16-36)19-11-22(27(37)33(3)15-19)32-26-7-8-30-17-31-26/h4-8,11-12,15,17,36H,9-10,13-14,16H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111951 (US8618107, 197) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C34H38FN7O3/c1-38-9-11-40(12-10-38)25-7-8-32(36-19-25)37-28-15-23(20-39(2)33(28)44)26-17-24(35)18-30(27(26)21-43)42-14-13-41-29-6-4-3-5-22(29)16-31(41)34(42)45/h7-8,15-20,43H,3-6,9-14,21H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015449 (CHEMBL3265033) Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C23H21N7O2S/c31-33(32)11-9-29(10-12-33)19-5-3-18(4-6-19)26-22-23-24-7-8-30(23)15-21(27-22)16-1-2-17-14-25-28-20(17)13-16/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015459 (CHEMBL3265000) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(=O)NS(C)(=O)=O)cc1OC Show InChI InChI=1S/C29H26N6O6S/c1-40-24-12-11-22(16-25(24)41-2)31-26-27-30-13-14-35(27)17-23(33-26)19-5-4-6-20(15-19)28(36)32-21-9-7-18(8-10-21)29(37)34-42(3,38)39/h4-17H,1-3H3,(H,31,33)(H,32,36)(H,34,37)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015439 (CHEMBL3265024) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCC(=O)Nc3c2)cc1OC Show InChI InChI=1S/C22H19N5O4/c1-29-18-6-4-14(10-19(18)30-2)24-21-22-23-7-8-27(22)11-16(26-21)13-3-5-17-15(9-13)25-20(28)12-31-17/h3-11H,12H2,1-2H3,(H,24,26)(H,25,28)	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015457 (CHEMBL3264998) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(CC(O)=O)cc2)cc1OC Show InChI InChI=1S/C29H25N5O5/c1-38-24-11-10-22(16-25(24)39-2)31-27-28-30-12-13-34(28)17-23(33-27)19-4-3-5-20(15-19)29(37)32-21-8-6-18(7-9-21)14-26(35)36/h3-13,15-17H,14H2,1-2H3,(H,31,33)(H,32,37)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015425 (CHEMBL3265016) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cc[nH]c3c2)cc1OC Show InChI InChI=1S/C22H19N5O2/c1-28-19-6-5-16(12-20(19)29-2)25-21-22-24-9-10-27(22)13-18(26-21)15-4-3-14-7-8-23-17(14)11-15/h3-13,23H,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					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))	BDBM50254268 (CHEMBL4077625) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2Cc3cc(ccc3C2=O)C(C)(C)C)c1CO Show InChI InChI=1S/C29H29N5O3/c1-29(2,3)20-8-9-22-18(12-20)15-34(27(22)36)25-7-5-6-21(23(25)16-35)19-13-24(28(37)33(4)14-19)32-26-10-11-30-17-31-26/h5-14,17,35H,15-16H2,1-4H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254270 (CHEMBL4080943) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1 Show InChI InChI=1S/C35H40N6O3S/c1-35(2)17-26-25-10-11-41(34(44)32(25)45-30(26)18-35)29-7-5-6-24(27(29)21-42)22-16-28(33(43)39(4)20-22)37-31-9-8-23(19-36-31)40-14-12-38(3)13-15-40/h5-9,16,19-20,42H,10-15,17-18,21H2,1-4H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254277 (CHEMBL4067714) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2Cc3cc(sc3C2=O)C(C)(C)C)c1CO Show InChI InChI=1S/C27H27N5O3S/c1-27(2,3)22-11-17-13-32(26(35)24(17)36-22)21-7-5-6-18(19(21)14-33)16-10-20(25(34)31(4)12-16)30-23-8-9-28-15-29-23/h5-12,15,33H,13-14H2,1-4H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					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))	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 SYK (Homo sapiens (Human))	BDBM50015427 (CHEMBL3265017) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1OC Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-5-15(10-19(18)29-2)24-20-21-22-7-8-27(21)12-17(25-20)13-3-4-14-11-23-26-16(14)9-13/h3-12H,1-2H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015450 (CHEMBL3265034) Show SMILES C1CC(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C24H22N6O/c1-2-19-14-26-29-21(19)13-18(1)22-15-30-10-9-25-24(30)23(28-22)27-20-5-3-16(4-6-20)17-7-11-31-12-8-17/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,26,29)(H,27,28)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015446 (CHEMBL3265030) Show SMILES CC1(O)CN(C1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C23H21N7O/c1-23(31)13-30(14-23)18-6-4-17(5-7-18)26-21-22-24-8-9-29(22)12-20(27-21)15-2-3-16-11-25-28-19(16)10-15/h2-12,31H,13-14H2,1H3,(H,25,28)(H,26,27)	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111945 (US8618107, 113) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C34H39N7O3/c1-37-12-14-39(15-13-37)25-10-11-32(35-20-25)36-28-18-24(21-38(2)33(28)43)26-7-5-9-30(27(26)22-42)41-17-16-40-29-8-4-3-6-23(29)19-31(40)34(41)44/h5,7,9-11,18-21,42H,3-4,6,8,12-17,22H2,1-2H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged BTK expressed in baculovirus expression system by Z-LYTE assay				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					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))	BDBM111952 (US8618107, 210) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C36H40FN7O4/c1-40-19-24(14-30(35(40)46)39-34-7-6-26(18-38-34)41-8-10-42(11-9-41)27-21-48-22-27)28-16-25(37)17-32(29(28)20-45)44-13-12-43-31-5-3-2-4-23(31)15-33(43)36(44)47/h6-7,14-19,27,45H,2-5,8-13,20-22H2,1H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111998 (US8618107, 312) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C37H42N6O4S/c1-37(2)16-28-27-9-10-43(36(46)34(27)48-32(28)17-37)31-6-4-5-26(29(31)20-44)23-15-30(35(45)40(3)19-23)39-33-8-7-24(18-38-33)41-11-13-42(14-12-41)25-21-47-22-25/h4-8,15,18-19,25,44H,9-14,16-17,20-22H2,1-3H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					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))	BDBM50254278 (CHEMBL4069030) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCNc3cc(ccc3C2=O)C(C)(C)C)c1CO Show InChI InChI=1S/C30H32N6O3/c1-30(2,3)20-8-9-22-24(15-20)32-12-13-36(28(22)38)26-7-5-6-21(23(26)17-37)19-14-25(29(39)35(4)16-19)34-27-10-11-31-18-33-27/h5-11,14-16,18,32,37H,12-13,17H2,1-4H3,(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					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 SYK (Homo sapiens (Human))	BDBM50015458 (CHEMBL3264999) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(N)=O)cc1OC Show InChI InChI=1S/C28H24N6O4/c1-37-23-11-10-21(15-24(23)38-2)31-26-27-30-12-13-34(27)16-22(33-26)18-4-3-5-19(14-18)28(36)32-20-8-6-17(7-9-20)25(29)35/h3-16H,1-2H3,(H2,29,35)(H,31,33)(H,32,36)	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015442 (CHEMBL3265026) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3c2)cc1OC Show InChI InChI=1S/C22H21N5O3/c1-28-19-6-4-15(12-20(19)29-2)25-21-22-24-7-9-27(22)13-17(26-21)14-3-5-18-16(11-14)23-8-10-30-18/h3-7,9,11-13,23H,8,10H2,1-2H3,(H,25,26)	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254269 (CHEMBL4096404) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCOc3cc(ccc3C2=O)C(C)(C)C)c1CO Show InChI InChI=1S/C30H31N5O4/c1-30(2,3)20-8-9-22-26(15-20)39-13-12-35(28(22)37)25-7-5-6-21(23(25)17-36)19-14-24(29(38)34(4)16-19)33-27-10-11-31-18-32-27/h5-11,14-16,18,36H,12-13,17H2,1-4H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					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))	BDBM111943 (US8618107, 109) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C28H28N6O3/c1-32-15-19(13-22(27(32)36)31-26-9-10-29-17-30-26)20-6-4-8-24(21(20)16-35)34-12-11-33-23-7-3-2-5-18(23)14-25(33)28(34)37/h4,6,8-10,13-15,17,35H,2-3,5,7,11-12,16H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM111998 (US8618107, 312) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C37H42N6O4S/c1-37(2)16-28-27-9-10-43(36(46)34(27)48-32(28)17-37)31-6-4-5-26(29(31)20-44)23-15-30(35(45)40(3)19-23)39-33-8-7-24(18-38-33)41-11-13-42(14-12-41)25-21-47-22-25/h4-8,15,18-19,25,44H,9-14,16-17,20-22H2,1-3H3,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction pre...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					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))	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))	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	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 method				Bioorg Med Chem Lett 25: 1333-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.032 BindingDB Entry DOI: 10.7270/Q26Q1ZXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015428 (CHEMBL3265018) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3c2)cc1OC Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-4-14(10-19(18)29-2)25-20-21-22-7-8-27(21)11-17(26-20)13-3-5-15-16(9-13)24-12-23-15/h3-12H,1-2H3,(H,23,24)(H,25,26)	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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015445 (CHEMBL3265029) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C20H16N6O/c1-27-16-6-4-15(5-7-16)23-19-20-21-8-9-26(20)12-18(24-19)13-2-3-14-11-22-25-17(14)10-13/h2-12H,1H3,(H,22,25)(H,23,24)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015451 (CHEMBL3265035) Show SMILES CN(CCO)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C22H21N7O/c1-28(10-11-30)18-6-4-17(5-7-18)25-21-22-23-8-9-29(22)14-20(26-21)15-2-3-16-13-24-27-19(16)12-15/h2-9,12-14,30H,10-11H2,1H3,(H,24,27)(H,25,26)	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015448 (CHEMBL3265032) Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)	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	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM36516 (4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB 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)				Bioorg Med Chem Lett 25: 1333-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.032 BindingDB Entry DOI: 10.7270/Q26Q1ZXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254279 (CHEMBL4060453) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C36H41N7O4/c1-39-20-25(17-30(35(39)45)38-34-10-9-26(19-37-34)40-11-13-41(14-12-40)27-22-47-23-27)28-6-4-8-32(29(28)21-44)43-16-15-42-31-7-3-2-5-24(31)18-33(42)36(43)46/h4,6,8-10,17-20,27,44H,2-3,5,7,11-16,21-23H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50064869 (CHEMBL3401277) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H33N5O4S/c1-20-24(7-5-8-25(20)35-30(38)28-18-22-6-3-4-9-27(22)42-28)26-19-36(2)32(40)29(34-26)33-23-12-10-21(11-13-23)31(39)37-14-16-41-17-15-37/h5,7-8,10-13,18-19H,3-4,6,9,14-17H2,1-2H3,(H,33,34)(H,35,38)	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	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 method				Bioorg Med Chem Lett 25: 1333-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.032 BindingDB Entry DOI: 10.7270/Q26Q1ZXS
					More data for this Ligand-Target Pair

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