Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'choy' and Initial = 'r'   

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))	BDBM50244490 (CHEMBL4102992) Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-41(11-10-39(22)2)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					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	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244489 (CHEMBL4095379) Show SMILES C[C@@H]1CN(C)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-39(2)10-11-41(22)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244491 (CHEMBL4092794) Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-41(11-10-39(22)2)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244488 (CHEMBL4069790) Show SMILES Cn1cc(cc(Nc2ccc(cn2)C2CN(C2)C2COC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C35H39N7O4/c1-35(2)12-22-11-29-34(45)42(9-8-41(29)30(22)13-35)32-27(18-43)26(6-7-36-32)23-10-28(33(44)39(3)15-23)38-31-5-4-21(14-37-31)24-16-40(17-24)25-19-46-20-25/h4-7,10-11,14-15,24-25,43H,8-9,12-13,16-20H2,1-3H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244494 (CHEMBL4090117) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2CCOCC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C38H46N8O4/c1-38(2)20-25-19-32-37(49)46(15-14-45(32)33(25)21-38)35-30(24-47)29(6-9-39-35)26-18-31(36(48)42(3)23-26)41-34-5-4-28(22-40-34)44-12-10-43(11-13-44)27-7-16-50-17-8-27/h4-6,9,18-19,22-23,27,47H,7-8,10-17,20-21,24H2,1-3H3,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244467 (CHEMBL4063638) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO |c:2,t:4| Show InChI InChI=1S/C38H43N5O4S/c1-23-16-24(17-32(34(23)45)40-25-4-6-26(7-5-25)41-12-14-42(15-13-41)27-21-47-22-27)28-8-10-39-36(31(28)20-44)43-11-9-29-30-18-38(2,3)19-33(30)48-35(29)37(43)46/h4-8,10,16-17,23,27,40,44H,9,11-15,18-22H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244502 (CHEMBL4085043) Show SMILES C[C@H]1CN(C)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-39(2)10-11-41(22)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					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	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244493 (CHEMBL4070991) Show SMILES C[C@H]1CN(CCN1c1cnc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)cn1)C1COC1 |r| Show InChI InChI=1S/C36H43N9O4/c1-22-17-42(25-20-49-21-25)7-8-43(22)32-16-38-31(15-39-32)40-28-11-24(18-41(4)34(28)47)26-5-6-37-33(27(26)19-46)45-10-9-44-29(35(45)48)12-23-13-36(2,3)14-30(23)44/h5-6,11-12,15-16,18,22,25,46H,7-10,13-14,17,19-21H2,1-4H3,(H,38,40)/t22-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244492 (CHEMBL4087543) Show SMILES CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C38H46N8O4/c1-5-26-20-43(28-22-50-23-28)10-11-44(26)27-6-7-34(40-18-27)41-31-14-25(19-42(4)36(31)48)29-8-9-39-35(30(29)21-47)46-13-12-45-32(37(46)49)15-24-16-38(2,3)17-33(24)45/h6-9,14-15,18-19,26,28,47H,5,10-13,16-17,20-23H2,1-4H3,(H,40,41)/t26-/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	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244486 (CHEMBL4097832) Show SMILES COCCCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C37H46N8O4/c1-37(2)20-25-19-31-36(48)45(16-15-44(31)32(25)21-37)34-29(24-46)28(8-9-38-34)26-18-30(35(47)41(3)23-26)40-33-7-6-27(22-39-33)43-13-11-42(12-14-43)10-5-17-49-4/h6-9,18-19,22-23,46H,5,10-17,20-21,24H2,1-4H3,(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244500 (CHEMBL4093188) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2Cc3cc(sc3C2=O)C(C)(C)C)c1CO |c:2,t:4| Show InChI InChI=1S/C36H41N5O4S/c1-22-15-23(28-9-10-37-34(29(28)19-42)41-18-24-17-31(36(2,3)4)46-33(24)35(41)44)16-30(32(22)43)38-25-5-7-26(8-6-25)39-11-13-40(14-12-39)27-20-45-21-27/h5-10,15-17,22,27,38,42H,11-14,18-21H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244501 (CHEMBL4062634) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C36H44N8O4/c1-36(2)19-24-18-30-35(47)44(14-13-43(30)31(24)20-36)33-28(23-45)27(7-8-37-33)25-17-29(34(46)40(3)22-25)39-32-6-5-26(21-38-32)42-11-9-41(10-12-42)15-16-48-4/h5-8,17-18,21-22,45H,9-16,19-20,23H2,1-4H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244497 (CHEMBL4074792) Show SMILES C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C38H46N8O4/c1-23-18-46(28-21-50-22-28)24(2)17-45(23)27-6-7-34(40-16-27)41-31-12-26(19-42(5)36(31)48)29-8-9-39-35(30(29)20-47)44-11-10-43-32(37(44)49)13-25-14-38(3,4)15-33(25)43/h6-9,12-13,16,19,23-24,28,47H,10-11,14-15,17-18,20-22H2,1-5H3,(H,40,41)/t23-,24+/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244464 (CHEMBL4085477) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1ccnc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C35H40N8O4/c1-39-19-24(16-29(34(39)45)38-32-7-6-25(18-37-32)40-10-12-41(13-11-40)26-21-47-22-26)27-8-9-36-33(28(27)20-44)43-15-14-42-30-5-3-2-4-23(30)17-31(42)35(43)46/h6-9,16-19,26,44H,2-5,10-15,20-22H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244483 (CHEMBL4082268) Show SMILES Cn1cc(cc(Nc2cccc(n2)N2CCN(CC2)C2COC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C36H42N8O4/c1-36(2)17-23-16-29-35(47)44(14-13-43(29)30(23)18-36)33-27(20-45)26(7-8-37-33)24-15-28(34(46)40(3)19-24)38-31-5-4-6-32(39-31)42-11-9-41(10-12-42)25-21-48-22-25/h4-8,15-16,19,25,45H,9-14,17-18,20-22H2,1-3H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244484 (CHEMBL4060356) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C35H40N8O4/c1-22(45)40-9-11-41(12-10-40)25-5-6-31(37-19-25)38-28-15-24(20-39(4)33(28)46)26-7-8-36-32(27(26)21-44)43-14-13-42-29(34(43)47)16-23-17-35(2,3)18-30(23)42/h5-8,15-16,19-20,44H,9-14,17-18,21H2,1-4H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244495 (CHEMBL4066176) Show SMILES C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m1/s1	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244499 (CHEMBL4086408) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |c:2,t:4| Show InChI InChI=1S/C38H44N6O4/c1-24-16-25(17-32(35(24)46)40-27-4-6-28(7-5-27)41-10-12-42(13-11-41)29-22-48-23-29)30-8-9-39-36(31(30)21-45)44-15-14-43-33(37(44)47)18-26-19-38(2,3)20-34(26)43/h4-9,16-18,24,29,40,45H,10-15,19-23H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244469 (CHEMBL4090946) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCn3c4CCCCc4c(F)c3C2=O)c1CO |c:2,t:4| Show InChI InChI=1S/C37H41FN6O4/c1-23-18-24(19-31(35(23)46)40-25-6-8-26(9-7-25)41-12-14-42(15-13-41)27-21-48-22-27)28-10-11-39-36(30(28)20-45)44-17-16-43-32-5-3-2-4-29(32)33(38)34(43)37(44)47/h6-11,18-19,23,27,40,45H,2-5,12-17,20-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244485 (CHEMBL4071754) Show SMILES CC(=O)N1CC2(C1)CN(C2)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C36H40N8O4/c1-22(46)41-18-36(19-41)20-42(21-36)25-5-6-31(38-15-25)39-28-11-24(16-40(4)33(28)47)26-7-8-37-32(27(26)17-45)44-10-9-43-29(34(44)48)12-23-13-35(2,3)14-30(23)43/h5-8,11-12,15-16,45H,9-10,13-14,17-21H2,1-4H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244487 (CHEMBL4079803) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CCC(F)(F)F)CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C36H41F3N8O3/c1-35(2)18-23-17-29-34(50)47(15-14-46(29)30(23)19-35)32-27(22-48)26(6-8-40-32)24-16-28(33(49)43(3)21-24)42-31-5-4-25(20-41-31)45-12-10-44(11-13-45)9-7-36(37,38)39/h4-6,8,16-17,20-21,48H,7,9-15,18-19,22H2,1-3H3,(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244468 (CHEMBL4104307) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(c1CO)-n1ccn2c3CCCCc3cc2c1=O |c:2,t:4| Show InChI InChI=1S/C37H40N6O4/c1-24-18-26(19-32(35(24)45)39-27-6-8-28(9-7-27)40-12-14-41(15-13-40)29-22-47-23-29)30-10-11-38-36(31(30)21-44)43-17-16-42-33-5-3-2-4-25(33)20-34(42)37(43)46/h6-11,16-20,24,29,39,44H,2-5,12-15,21-23H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244466 (CHEMBL4075845) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCc3c4CCCCc4sc3C2=O)c1CO |c:2,t:4| Show InChI InChI=1S/C37H41N5O4S/c1-23-18-24(19-32(34(23)44)39-25-6-8-26(9-7-25)40-14-16-41(17-15-40)27-21-46-22-27)28-10-12-38-36(31(28)20-43)42-13-11-30-29-4-2-3-5-33(29)47-35(30)37(42)45/h6-10,12,18-19,23,27,39,43H,2-5,11,13-17,20-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244498 (CHEMBL4101904) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cncc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C35H40N8O4/c1-39-19-24(14-29(34(39)45)38-33-7-6-25(16-37-33)40-8-10-41(11-9-40)26-21-47-22-26)27-17-36-18-32(28(27)20-44)43-13-12-42-30-5-3-2-4-23(30)15-31(42)35(43)46/h6-7,14-19,26,44H,2-5,8-13,20-22H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244465 (CHEMBL4075253) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1nccc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C35H40N8O4/c1-39-19-24(16-28(34(39)45)38-32-7-6-25(18-37-32)40-10-12-41(13-11-40)26-21-47-22-26)33-27(20-44)30(8-9-36-33)43-15-14-42-29-5-3-2-4-23(29)17-31(42)35(43)46/h6-9,16-19,26,44H,2-5,10-15,20-22H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human isolated primary B cells assessed as inhibition of anti-IgM-induced cell proliferation by [3H]thymidine incorporation assa...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human mononuclear cell-derived monocytes assessed as inhibition of FCgammaR3 activation-induced TNFalpha production by ELISA				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human isolated primary B cells assessed as inhibition of CD40L-induced cell proliferation by [3H]thymidine incorporation assay				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of anti-IgM-induced BTK phosphorylation at Y233 in human primary B cells				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244502 (CHEMBL4085043) Show SMILES C[C@H]1CN(C)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-39(2)10-11-41(22)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244497 (CHEMBL4074792) Show SMILES C[C@@H]1CN([C@@H](C)CN1C1COC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C38H46N8O4/c1-23-18-46(28-21-50-22-28)24(2)17-45(23)27-6-7-34(40-16-27)41-31-12-26(19-42(5)36(31)48)29-8-9-39-35(30(29)20-47)44-11-10-43-32(37(44)49)13-25-14-38(3,4)15-33(25)43/h6-9,12-13,16,19,23-24,28,47H,10-11,14-15,17-18,20-22H2,1-5H3,(H,40,41)/t23-,24+/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of anti-IgM-induced BTK phosphorylation at Y233 in human whole blood after 6 hrs				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244491 (CHEMBL4092794) Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-41(11-10-39(22)2)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244499 (CHEMBL4086408) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |c:2,t:4| Show InChI InChI=1S/C38H44N6O4/c1-24-16-25(17-32(35(24)46)40-27-4-6-28(7-5-27)41-10-12-42(13-11-41)29-22-48-23-29)30-8-9-39-36(31(30)21-45)44-15-14-43-33(37(44)47)18-26-19-38(2,3)20-34(26)43/h4-9,16-18,24,29,40,45H,10-15,19-23H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244492 (CHEMBL4087543) Show SMILES CC[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C38H46N8O4/c1-5-26-20-43(28-22-50-23-28)10-11-44(26)27-6-7-34(40-18-27)41-31-14-25(19-42(4)36(31)48)29-8-9-39-35(30(29)21-47)46-13-12-45-32(37(46)49)15-24-16-38(2,3)17-33(24)45/h6-9,14-15,18-19,26,28,47H,5,10-13,16-17,20-23H2,1-4H3,(H,40,41)/t26-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description In vitro inhibitory activity against mu specific tissue of rat vas deferens				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244496 (CHEMBL4095248) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C36H43N9O4/c1-22-18-42(25-20-49-21-25)9-10-43(22)24-5-6-32(38-17-24)39-29-14-28(40-41(4)34(29)47)26-7-8-37-33(27(26)19-46)45-12-11-44-30(35(45)48)13-23-15-36(2,3)16-31(23)44/h5-8,13-14,17,22,25,46H,9-12,15-16,18-21H2,1-4H3,(H,38,39)/t22-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description In vitro agonist activity at kappa opioid receptor in rabbit vas deferens.				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244489 (CHEMBL4095379) Show SMILES C[C@@H]1CN(C)CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-39(2)10-11-41(22)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244488 (CHEMBL4069790) Show SMILES Cn1cc(cc(Nc2ccc(cn2)C2CN(C2)C2COC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C35H39N7O4/c1-35(2)12-22-11-29-34(45)42(9-8-41(29)30(22)13-35)32-27(18-43)26(6-7-36-32)23-10-28(33(44)39(3)15-23)38-31-5-4-21(14-37-31)24-16-40(17-24)25-19-46-20-25/h4-7,10-11,14-15,24-25,43H,8-9,12-13,16-20H2,1-3H3,(H,37,38)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					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	28	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244490 (CHEMBL4102992) Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H40FN7O3/c1-22-19-41(11-10-39(22)2)26-8-9-33(37-18-26)38-29-14-24(20-40(3)34(29)45)27-16-25(36)17-31(28(27)21-44)43-13-12-42-30-7-5-4-6-23(30)15-32(42)35(43)46/h8-9,14-18,20,22,44H,4-7,10-13,19,21H2,1-3H3,(H,37,38)/t22-/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood derived-basophils assessed as suppression of IgE mediated-FcepsilonR ligation-stimulated CD63 expression				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244486 (CHEMBL4097832) Show SMILES COCCCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C37H46N8O4/c1-37(2)20-25-19-31-36(48)45(16-15-44(31)32(25)21-37)34-29(24-46)28(8-9-38-34)26-18-30(35(47)41(3)23-26)40-33-7-6-27(22-39-33)43-13-11-42(12-14-43)10-5-17-49-4/h6-9,18-19,22-23,46H,5,10-17,20-21,24H2,1-4H3,(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244494 (CHEMBL4090117) Show SMILES Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2CCOCC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C38H46N8O4/c1-38(2)20-25-19-32-37(49)46(15-14-45(32)33(25)21-38)35-30(24-47)29(6-9-39-35)26-18-31(36(48)42(3)23-26)41-34-5-4-28(22-40-34)44-12-10-43(11-13-44)27-7-16-50-17-8-27/h4-6,9,18-19,22-23,27,47H,7-8,10-17,20-21,24H2,1-3H3,(H,40,41)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244485 (CHEMBL4071754) Show SMILES CC(=O)N1CC2(C1)CN(C2)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C36H40N8O4/c1-22(46)41-18-36(19-41)20-42(21-36)25-5-6-31(38-15-25)39-28-11-24(16-40(4)33(28)47)26-7-8-37-32(27(26)17-45)44-10-9-43-29(34(44)48)12-23-13-35(2,3)14-30(23)43/h5-8,11-12,15-16,45H,9-10,13-14,17-21H2,1-4H3,(H,38,39)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244501 (CHEMBL4062634) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C36H44N8O4/c1-36(2)19-24-18-30-35(47)44(14-13-43(30)31(24)20-36)33-28(23-45)27(7-8-37-33)25-17-29(34(46)40(3)22-25)39-32-6-5-26(21-38-32)42-11-9-41(10-12-42)15-16-48-4/h5-8,17-18,21-22,45H,9-16,19-20,23H2,1-4H3,(H,38,39)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 92 total )  |  Next  |  Last  >>

Jump to: