Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'dipaolo' 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 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 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 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))	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))	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))	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))	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))	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))	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 (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))	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 (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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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, 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))	BDBM50254271 (CHEMBL4102294) Show SMILES Cc1c(cccc1-c1cc(Nc2ccncn2)c(=O)n(C)c1)N1CCc2c3CCCCc3sc2C1=O Show InChI InChI=1S/C28H27N5O2S/c1-17-19(18-14-22(27(34)32(2)15-18)31-25-10-12-29-16-30-25)7-5-8-23(17)33-13-11-21-20-6-3-4-9-24(20)36-26(21)28(33)35/h5,7-8,10,12,14-16H,3-4,6,9,11,13H2,1-2H3,(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	11	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)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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))	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	29	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))	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	35	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))	BDBM50254286 (CHEMBL4084331) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccncn2)c(=O)n(C)c1 Show InChI InChI=1S/C26H25N5O2S/c1-16-19(18-12-21(26(33)31(2)14-18)29-24-10-11-27-15-28-24)7-5-8-20(16)30-25(32)23-13-17-6-3-4-9-22(17)34-23/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,30,32)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	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))	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	45	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)	BDBM50254273 (CHEMBL4085292) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C(C)(C)C)c1CO Show InChI InChI=1S/C30H31N5O3/c1-30(2,3)21-8-9-23-19(14-21)11-13-35(28(23)37)26-7-5-6-22(24(26)17-36)20-15-25(29(38)34(4)16-20)33-27-10-12-31-18-32-27/h5-10,12,14-16,18,36H,11,13,17H2,1-4H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	64	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				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	69	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))	BDBM50254234 (CHEMBL4071845) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c(cc4CCCCn34)C2=O)c1CO Show InChI InChI=1S/C28H28N6O3/c1-32-15-18(13-23(28(32)37)31-26-8-10-29-17-30-26)20-6-4-7-24(22(20)16-35)34-12-9-25-21(27(34)36)14-19-5-2-3-11-33(19)25/h4,6-8,10,13-15,17,35H,2-3,5,9,11-12,16H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	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))	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	87	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	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))	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	89	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)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	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))	BDBM50254237 (CHEMBL4095477) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2Cc3nc(sc3C2=O)C(C)(C)C)c1CO Show InChI InChI=1S/C26H26N6O3S/c1-26(2,3)25-30-19-12-32(24(35)22(19)36-25)20-7-5-6-16(17(20)13-33)15-10-18(23(34)31(4)11-15)29-21-8-9-27-14-28-21/h5-11,14,33H,12-13H2,1-4H3,(H,27,28,29)	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	139	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)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	171	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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, 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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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 (Mus musculus)	BDBM50254234 (CHEMBL4071845) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c(cc4CCCCn34)C2=O)c1CO Show InChI InChI=1S/C28H28N6O3/c1-32-15-18(13-23(28(32)37)31-26-8-10-29-17-30-26)20-6-4-7-24(22(20)16-35)34-12-9-25-21(27(34)36)14-19-5-2-3-11-33(19)25/h4,6-8,10,13-15,17,35H,2-3,5,9,11-12,16H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	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 (Mus musculus)	BDBM50254286 (CHEMBL4084331) Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccncn2)c(=O)n(C)c1 Show InChI InChI=1S/C26H25N5O2S/c1-16-19(18-12-21(26(33)31(2)14-18)29-24-10-11-27-15-28-24)7-5-8-20(16)30-25(32)23-13-17-6-3-4-9-22(17)34-23/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	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 (Mus musculus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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 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))	BDBM50254235 (CHEMBL4100365) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CCCCc4nc3C2=O)c1CO Show InChI InChI=1S/C27H27N7O3/c1-32-14-17(13-21(26(32)36)30-24-9-10-28-16-29-24)18-5-4-8-22(19(18)15-35)34-12-11-33-23-7-3-2-6-20(23)31-25(33)27(34)37/h4-5,8-10,13-14,16,35H,2-3,6-7,11-12,15H2,1H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+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))	BDBM50254272 (CHEMBL4082346) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c(nc4CCCCn34)C2=O)c1CO Show InChI InChI=1S/C27H27N7O3/c1-32-14-17(13-20(26(32)36)30-23-8-10-28-16-29-23)18-5-4-6-21(19(18)15-35)34-12-9-22-25(27(34)37)31-24-7-2-3-11-33(22)24/h4-6,8,10,13-14,16,35H,2-3,7,9,11-12,15H2,1H3,(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	1.67E+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 (Mus musculus)	BDBM50254235 (CHEMBL4100365) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CCCCc4nc3C2=O)c1CO Show InChI InChI=1S/C27H27N7O3/c1-32-14-17(13-21(26(32)36)30-24-9-10-28-16-29-24)18-5-4-8-22(19(18)15-35)34-12-11-33-23-7-3-2-6-20(23)31-25(33)27(34)37/h4-5,8-10,13-14,16,35H,2-3,6-7,11-12,15H2,1H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.86E+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 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 (Mus musculus)	BDBM50254272 (CHEMBL4082346) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c(nc4CCCCn34)C2=O)c1CO Show InChI InChI=1S/C27H27N7O3/c1-32-14-17(13-20(26(32)36)30-23-8-10-28-16-29-23)18-5-4-6-21(19(18)15-35)34-12-9-22-25(27(34)37)31-24-7-2-3-11-33(22)24/h4-6,8,10,13-14,16,35H,2-3,7,9,11-12,15H2,1H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 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))	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	n/a	n/a	22	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 human B-cells assessed as decrease in BCR-stimulated B-cell proliferation after 8 hrs by [3H]-thymidine incorporation 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 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	n/a	n/a	33	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 human monocytes assessed as inhibition of FCgammaR activation-induced TNFalpha production by ELISA				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)