Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'kawahata' and Initial = 'w'   

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))	BDBM465744 (2-{3-[2-amino-6-(pyridin-4-yl)-7H- pyrrolo[2,3-d]p...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccncc1 Show InChI InChI=1S/C30H23FN6O2/c31-23-13-19(16-4-5-16)12-18-8-11-37(29(39)26(18)23)25-3-1-2-20(22(25)15-38)27-21-14-24(17-6-9-33-10-7-17)34-28(21)36-30(32)35-27/h1-3,6-14,16,38H,4-5,15H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452701 (CHEMBL4211960) Show SMILES Nc1cc(nc(Nc2cnn(CC(F)F)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C28H24F3N7O2/c29-21-9-17(15-4-5-15)8-16-6-7-38(27(40)26(16)21)23-3-1-2-19(20(23)14-39)22-10-25(32)36-28(35-22)34-18-11-33-37(12-18)13-24(30)31/h1-3,6-12,15,24,39H,4-5,13-14H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452720 (CHEMBL4212285) Show SMILES CC(C)n1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C29H28FN7O2/c1-16(2)37-14-20(13-32-37)33-29-34-24(12-26(31)35-29)21-4-3-5-25(22(21)15-38)36-9-8-18-10-19(17-6-7-17)11-23(30)27(18)28(36)39/h3-5,8-14,16-17,38H,6-7,15H2,1-2H3,(H3,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
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 US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468314 (2-{3-[2-amino-6- (1,1-dioxido-3,6- dihydro-2H- thi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCS(=O)(=O)CC1 |t:39| Show InChI InChI=1S/C30H26FN5O4S/c31-23-13-19(16-4-5-16)12-18-6-9-36(29(38)26(18)23)25-3-1-2-20(22(25)15-37)27-21-14-24(33-28(21)35-30(32)34-27)17-7-10-41(39,40)11-8-17/h1-3,6-7,9,12-14,16,37H,4-5,8,10-11,15H2,(H3,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459581 (CHEMBL4218481) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-32(2,3)22-11-7-20(8-12-22)28(41)35-26-6-4-5-24(25(26)19-40)27-36-30(33)38-31(37-27)34-23-13-9-21(10-14-23)29(42)39-15-17-43-18-16-39/h4-14,40H,15-19H2,1-3H3,(H,35,41)(H3,33,34,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452722 (CHEMBL4215160) Show SMILES Nc1cc(nc(Nc2cnn(CC3CC3)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C30H28FN7O2/c31-24-11-20(18-6-7-18)10-19-8-9-38(29(40)28(19)24)26-3-1-2-22(23(26)16-39)25-12-27(32)36-30(35-25)34-21-13-33-37(15-21)14-17-4-5-17/h1-3,8-13,15,17-18,39H,4-7,14,16H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452714 (CHEMBL4213985) Show SMILES Nc1cc(nc(Nc2cnn(c2)C2CC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C29H26FN7O2/c30-23-11-18(16-4-5-16)10-17-8-9-36(28(39)27(17)23)25-3-1-2-21(22(25)15-38)24-12-26(31)35-29(34-24)33-19-13-32-37(14-19)20-6-7-20/h1-3,8-14,16,20,38H,4-7,15H2,(H3,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465733 (2-[3-(2-amino-6-{4-[(4-methylpiperazin- 1-yl)methy...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(nc(N)nc3[nH]2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)CC1 Show InChI InChI=1S/C37H36FN7O2/c1-43-13-15-44(16-14-43)20-22-5-7-24(8-6-22)31-19-28-34(41-37(39)42-35(28)40-31)27-3-2-4-32(29(27)21-46)45-12-11-25-17-26(23-9-10-23)18-30(38)33(25)36(45)47/h2-8,11-12,17-19,23,46H,9-10,13-16,20-21H2,1H3,(H3,39,40,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468318 (2-(3-{2-amino-6-[1- (methylsulfonyl)- 1,2,3,6- tet...) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C31H29FN6O4S/c1-43(41,42)37-10-7-18(8-11-37)25-15-22-28(35-31(33)36-29(22)34-25)21-3-2-4-26(23(21)16-39)38-12-9-19-13-20(17-5-6-17)14-24(32)27(19)30(38)40/h2-4,7,9,12-15,17,39H,5-6,8,10-11,16H2,1H3,(H3,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468311 (2-{3-[2-amino-6-(4- {[4-(2-hydroxy- ethyl)piperazi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCN(CCO)CC2)cc1 Show InChI InChI=1S/C38H38FN7O3/c39-31-19-27(24-8-9-24)18-26-10-11-46(37(49)34(26)31)33-3-1-2-28(30(33)22-48)35-29-20-32(41-36(29)43-38(40)42-35)25-6-4-23(5-7-25)21-45-14-12-44(13-15-45)16-17-47/h1-7,10-11,18-20,24,47-48H,8-9,12-17,21-22H2,(H3,40,41,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459553 (CHEMBL4209441) Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459578 (CHEMBL4204675) Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C28H23FN8O2/c1-36-13-18(11-19(36)12-30)32-28-34-25(33-27(31)35-28)20-3-2-4-23(21(20)14-38)37-8-7-16-9-17(15-5-6-15)10-22(29)24(16)26(37)39/h2-4,7-11,13,15,38H,5-6,14H2,1H3,(H3,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468313 (2-(3-{2-amino-6- [1-(4-methylpiperazine-1- carbony...) Show SMILES CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13| Show InChI InChI=1S/C36H37FN8O3/c1-42-13-15-44(16-14-42)36(48)43-10-7-22(8-11-43)29-19-26-32(40-35(38)41-33(26)39-29)25-3-2-4-30(27(25)20-46)45-12-9-23-17-24(21-5-6-21)18-28(37)31(23)34(45)47/h2-4,7,9,12,17-19,21,46H,5-6,8,10-11,13-16,20H2,1H3,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452707 (CHEMBL4216609) Show SMILES Cn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C27H24FN7O2/c1-34-13-18(12-30-34)31-27-32-22(11-24(29)33-27)19-3-2-4-23(20(19)14-36)35-8-7-16-9-17(15-5-6-15)10-21(28)25(16)26(35)37/h2-4,7-13,15,36H,5-6,14H2,1H3,(H3,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452700 (CHEMBL4204719) Show SMILES CCn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C28H26FN7O2/c1-2-35-14-19(13-31-35)32-28-33-23(12-25(30)34-28)20-4-3-5-24(21(20)15-37)36-9-8-17-10-18(16-6-7-16)11-22(29)26(17)27(36)38/h3-5,8-14,16,37H,2,6-7,15H2,1H3,(H3,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452709 (CHEMBL4218643) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1 Show InChI InChI=1S/C34H34FN7O2/c1-40-13-15-41(16-14-40)25-9-7-24(8-10-25)37-34-38-29(19-31(36)39-34)26-3-2-4-30(27(26)20-43)42-12-11-22-17-23(21-5-6-21)18-28(35)32(22)33(42)44/h2-4,7-12,17-19,21,43H,5-6,13-16,20H2,1H3,(H3,36,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459577 (CHEMBL4217816) Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H30FN7O3/c33-26-17-21(19-4-5-19)16-20-10-11-40(30(42)28(20)26)27-3-1-2-24(25(27)18-41)29-36-31(34)38-32(37-29)35-22-6-8-23(9-7-22)39-12-14-43-15-13-39/h1-3,6-11,16-17,19,41H,4-5,12-15,18H2,(H3,34,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468320 (2-{3-[2-amino-6-(1,2,3,6- tetrahydropyridin-4-yl)-...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCNCC1 |t:39| Show InChI InChI=1S/C30H27FN6O2/c31-23-13-19(16-4-5-16)12-18-8-11-37(29(39)26(18)23)25-3-1-2-20(22(25)15-38)27-21-14-24(17-6-9-33-10-7-17)34-28(21)36-30(32)35-27/h1-3,6,8,11-14,16,33,38H,4-5,7,9-10,15H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468315 (2-{3-[2-amino-6- (1-propionyl-1,2,3,6- tetrahydrop...) Show SMILES CCC(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C33H31FN6O3/c1-2-28(42)39-11-8-19(9-12-39)26-16-23-30(37-33(35)38-31(23)36-26)22-4-3-5-27(24(22)17-41)40-13-10-20-14-21(18-6-7-18)15-25(34)29(20)32(40)43/h3-5,8,10,13-16,18,41H,2,6-7,9,11-12,17H2,1H3,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM465733 (2-[3-(2-amino-6-{4-[(4-methylpiperazin- 1-yl)methy...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(nc(N)nc3[nH]2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)CC1 Show InChI InChI=1S/C37H36FN7O2/c1-43-13-15-44(16-14-43)20-22-5-7-24(8-6-22)31-19-28-34(41-37(39)42-35(28)40-31)27-3-2-4-32(29(27)21-46)45-12-11-25-17-26(23-9-10-23)18-30(38)33(25)36(45)47/h2-8,11-12,17-19,23,46H,9-10,13-16,20-21H2,1H3,(H3,39,40,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468307 (2-[3-(2-amino-6-{4- [(dimethyl- amino)methyl]pheny...) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H31FN6O2/c1-40(2)17-19-6-8-21(9-7-19)28-16-25-31(38-34(36)39-32(25)37-28)24-4-3-5-29(26(24)18-42)41-13-12-22-14-23(20-10-11-20)15-27(35)30(22)33(41)43/h3-9,12-16,20,42H,10-11,17-18H2,1-2H3,(H3,36,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468308 (2-[3-(2-amino-6-{4- [(diethyl- amino)methyl]phenyl...) Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C36H35FN6O2/c1-3-42(4-2)19-21-8-10-23(11-9-21)30-18-27-33(40-36(38)41-34(27)39-30)26-6-5-7-31(28(26)20-44)43-15-14-24-16-25(22-12-13-22)17-29(37)32(24)35(43)45/h5-11,14-18,22,44H,3-4,12-13,19-20H2,1-2H3,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465748 (2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39| Show InChI InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468319 (2-{3-[2-amino-6-(1- ethyl-1,2,3,6- tetrahydropyrid...) Show SMILES CCN1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:5| Show InChI InChI=1S/C32H31FN6O2/c1-2-38-11-8-19(9-12-38)26-16-23-29(36-32(34)37-30(23)35-26)22-4-3-5-27(24(22)17-40)39-13-10-20-14-21(18-6-7-18)15-25(33)28(20)31(39)41/h3-5,8,10,13-16,18,40H,2,6-7,9,11-12,17H2,1H3,(H3,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468312 (2-[3-(2-amino-6-{4- [(3-oxopiperazin-1- yl)methyl]...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCNC(=O)C2)cc1 Show InChI InChI=1S/C36H32FN7O3/c37-28-15-24(21-8-9-21)14-23-10-12-44(35(47)32(23)28)30-3-1-2-25(27(30)19-45)33-26-16-29(40-34(26)42-36(38)41-33)22-6-4-20(5-7-22)17-43-13-11-39-31(46)18-43/h1-7,10,12,14-16,21,45H,8-9,11,13,17-19H2,(H,39,46)(H3,38,40,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459580 (CHEMBL4211893) Show SMILES CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C30H29FN8O2/c1-16(17-5-6-17)39-14-21(13-33-39)34-30-36-27(35-29(32)37-30)22-3-2-4-25(23(22)15-40)38-10-9-19-11-20(18-7-8-18)12-24(31)26(19)28(38)41/h2-4,9-14,16-18,40H,5-8,15H2,1H3,(H3,32,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM465738 (2-{3-[2-amino-6-(1-methyl-1H-pyrazol- 4-yl)-7H-pyr...) Show SMILES Cn1cc(cn1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C29H24FN7O2/c1-36-13-18(12-32-36)23-11-20-26(34-29(31)35-27(20)33-23)19-3-2-4-24(21(19)14-38)37-8-7-16-9-17(15-5-6-15)10-22(30)25(16)28(37)39/h2-4,7-13,15,38H,5-6,14H2,1H3,(H3,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468309 (2-(3-{2-amino-6-[4- (pyrrolidin-1- ylmethyl)phenyl...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C36H33FN6O2/c37-29-17-25(22-10-11-22)16-24-12-15-43(35(45)32(24)29)31-5-3-4-26(28(31)20-44)33-27-18-30(39-34(27)41-36(38)40-33)23-8-6-21(7-9-23)19-42-13-1-2-14-42/h3-9,12,15-18,22,44H,1-2,10-11,13-14,19-20H2,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459560 (CHEMBL4214343) Show SMILES Nc1nc(Nc2cn[nH]c2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C25H21FN8O2/c26-19-9-15(13-4-5-13)8-14-6-7-34(23(36)21(14)19)20-3-1-2-17(18(20)12-35)22-31-24(27)33-25(32-22)30-16-10-28-29-11-16/h1-3,6-11,13,35H,4-5,12H2,(H,28,29)(H3,27,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468316 (4-{2-amino-4-[3- (6-cyclopropyl-8- fluoro-1-oxoiso...) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H32FN7O3/c1-39(2)33(44)40-11-8-19(9-12-40)26-16-23-29(37-32(35)38-30(23)36-26)22-4-3-5-27(24(22)17-42)41-13-10-20-14-21(18-6-7-18)15-25(34)28(20)31(41)43/h3-5,8,10,13-16,18,42H,6-7,9,11-12,17H2,1-2H3,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459573 (CHEMBL4208062) Show SMILES CC(C)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C30H27FN8O2/c1-16(2)39-14-20(12-21(39)13-32)34-30-36-27(35-29(33)37-30)22-4-3-5-25(23(22)15-40)38-9-8-18-10-19(17-6-7-17)11-24(31)26(18)28(38)41/h3-5,8-12,14,16-17,40H,6-7,15H2,1-2H3,(H3,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468316 (4-{2-amino-4-[3- (6-cyclopropyl-8- fluoro-1-oxoiso...) Show SMILES CN(C)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:8| Show InChI InChI=1S/C33H32FN7O3/c1-39(2)33(44)40-11-8-19(9-12-40)26-16-23-29(37-32(35)38-30(23)36-26)22-4-3-5-27(24(22)17-42)41-13-10-20-14-21(18-6-7-18)15-25(34)28(20)31(41)43/h3-5,8,10,13-16,18,42H,6-7,9,11-12,17H2,1-2H3,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459579 (CHEMBL4212436) Show SMILES COCCOCCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C32H31FN8O4/c1-44-11-12-45-10-9-40-17-22(15-23(40)16-34)36-32-38-29(37-31(35)39-32)24-3-2-4-27(25(24)18-42)41-8-7-20-13-21(19-5-6-19)14-26(33)28(20)30(41)43/h2-4,7-8,13-15,17,19,42H,5-6,9-12,18H2,1H3,(H3,35,36,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459558 (CHEMBL4216862) Show SMILES Nc1nc(Nc2cnn(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C28H25FN8O2/c29-22-11-17(15-4-5-15)10-16-8-9-36(26(39)24(16)22)23-3-1-2-20(21(23)14-38)25-33-27(30)35-28(34-25)32-18-12-31-37(13-18)19-6-7-19/h1-3,8-13,15,19,38H,4-7,14H2,(H3,30,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468311 (2-{3-[2-amino-6-(4- {[4-(2-hydroxy- ethyl)piperazi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCN(CCO)CC2)cc1 Show InChI InChI=1S/C38H38FN7O3/c39-31-19-27(24-8-9-24)18-26-10-11-46(37(49)34(26)31)33-3-1-2-28(30(33)22-48)35-29-20-32(41-36(29)43-38(40)42-35)25-6-4-23(5-7-25)21-45-14-12-44(13-15-45)16-17-47/h1-7,10-11,18-20,24,47-48H,8-9,12-17,21-22H2,(H3,40,41,42,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459572 (CHEMBL4216339) Show SMILES CCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C29H25FN8O2/c1-2-37-14-19(12-20(37)13-31)33-29-35-26(34-28(32)36-29)21-4-3-5-24(22(21)15-39)38-9-8-17-10-18(16-6-7-16)11-23(30)25(17)27(38)40/h3-5,8-12,14,16,39H,2,6-7,15H2,1H3,(H3,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468313 (2-(3-{2-amino-6- [1-(4-methylpiperazine-1- carbony...) Show SMILES CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13| Show InChI InChI=1S/C36H37FN8O3/c1-42-13-15-44(16-14-42)36(48)43-10-7-22(8-11-43)29-19-26-32(40-35(38)41-33(26)39-29)25-3-2-4-30(27(25)20-46)45-12-9-23-17-24(21-5-6-21)18-28(37)31(23)34(45)47/h2-4,7,9,12,17-19,21,46H,5-6,8,10-11,13-16,20H2,1H3,(H3,38,39,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468313 (2-(3-{2-amino-6- [1-(4-methylpiperazine-1- carbony...) Show SMILES CN1CCN(CC1)C(=O)N1CCC(=CC1)c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:13| Show InChI InChI=1S/C36H37FN8O3/c1-42-13-15-44(16-14-42)36(48)43-10-7-22(8-11-43)29-19-26-32(40-35(38)41-33(26)39-29)25-3-2-4-30(27(25)20-46)45-12-9-23-17-24(21-5-6-21)18-28(37)31(23)34(45)47/h2-4,7,9,12,17-19,21,46H,5-6,8,10-11,13-16,20H2,1H3,(H3,38,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK C481S mutant using phosphorylated substrate in presence of ATP by microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01279 BindingDB Entry DOI: 10.7270/Q2SB49NZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM468314 (2-{3-[2-amino-6- (1,1-dioxido-3,6- dihydro-2H- thi...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCS(=O)(=O)CC1 |t:39| Show InChI InChI=1S/C30H26FN5O4S/c31-23-13-19(16-4-5-16)12-18-6-9-36(29(38)26(18)23)25-3-1-2-20(22(25)15-37)27-21-14-24(33-28(21)35-30(32)34-27)17-7-10-41(39,40)11-8-17/h1-3,6-7,9,12-14,16,37H,4-5,8,10-11,15H2,(H3,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468310 (2-(3-{2-amino-6-[4- (piperidin-1- ylmethyl)phenyl]...) Show SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C37H35FN6O2/c38-30-18-26(23-11-12-23)17-25-13-16-44(36(46)33(25)30)32-6-4-5-27(29(32)21-45)34-28-19-31(40-35(28)42-37(39)41-34)24-9-7-22(8-10-24)20-43-14-2-1-3-15-43/h4-10,13,16-19,23,45H,1-3,11-12,14-15,20-21H2,(H3,39,40,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452704 (CHEMBL4208439) Show SMILES CC(C)(C)n1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C30H30FN7O2/c1-30(2,3)38-15-20(14-33-38)34-29-35-24(13-26(32)36-29)21-5-4-6-25(22(21)16-39)37-10-9-18-11-19(17-7-8-17)12-23(31)27(18)28(37)40/h4-6,9-15,17,39H,7-8,16H2,1-3H3,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452703 (CHEMBL4210972) Show SMILES Nc1cc(nc(Nc2cnn(c2)C2(CO)CC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C30H28FN7O3/c31-23-11-19(17-4-5-17)10-18-6-9-37(28(41)27(18)23)25-3-1-2-21(22(25)15-39)24-12-26(32)36-29(35-24)34-20-13-33-38(14-20)30(16-40)7-8-30/h1-3,6,9-14,17,39-40H,4-5,7-8,15-16H2,(H3,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452702 (CHEMBL4206900) Show SMILES Nc1cc(nc(Nc2ccc(cc2)N2CCOCC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C33H31FN6O3/c34-27-17-22(20-4-5-20)16-21-10-11-40(32(42)31(21)27)29-3-1-2-25(26(29)19-41)28-18-30(35)38-33(37-28)36-23-6-8-24(9-7-23)39-12-14-43-15-13-39/h1-3,6-11,16-18,20,41H,4-5,12-15,19H2,(H3,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM465738 (2-{3-[2-amino-6-(1-methyl-1H-pyrazol- 4-yl)-7H-pyr...) Show SMILES Cn1cc(cn1)-c1cc2c(nc(N)nc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C29H24FN7O2/c1-36-13-18(12-32-36)23-11-20-26(34-29(31)35-27(20)33-23)19-3-2-4-24(21(19)14-38)37-8-7-16-9-17(15-5-6-15)10-22(30)25(16)28(37)39/h2-4,7-13,15,38H,5-6,14H2,1H3,(H3,31,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
CARNA BIOSCIENCES, INC. US Patent					Assay Description The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...				US Patent US10793575 (2020) BindingDB Entry DOI: 10.7270/Q2RV0RSG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452717 (CHEMBL4214732) Show SMILES Nc1cc(nc(Nc2cn[nH]c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C26H22FN7O2/c27-20-9-16(14-4-5-14)8-15-6-7-34(25(36)24(15)20)22-3-1-2-18(19(22)13-35)21-10-23(28)33-26(32-21)31-17-11-29-30-12-17/h1-3,6-12,14,35H,4-5,13H2,(H,29,30)(H3,28,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...				Bioorg Med Chem Lett 28: 145-151 (2018) Article DOI: 10.1016/j.bmcl.2017.11.037 BindingDB Entry DOI: 10.7270/Q2X069M2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM36516 (4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP				Bioorg Med Chem Lett 25: 2033-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.001 BindingDB Entry DOI: 10.7270/Q2VX0J60
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50068574 (CHEMBL3402355) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(-8.97,-12.95,;-7.9,-12.33,;-7.9,-10.79,;-9.23,-10.02,;-9.23,-8.47,;-8.16,-7.86,;-10.56,-7.7,;-10.56,-6.16,;-11.89,-5.39,;-13.23,-6.16,;-13.23,-7.7,;-11.9,-8.47,;-14.56,-5.38,;-14.56,-4.15,;-15.63,-6,;-15.62,-4.77,;-6.57,-10.02,;-5.23,-10.8,;-5.24,-12.34,;-6.57,-13.1,;-6.57,-14.64,;-7.91,-15.41,;-7.91,-16.95,;-8.97,-17.57,;-6.57,-17.72,;-6.57,-18.96,;-5.24,-16.95,;-3.9,-17.72,;-2.57,-16.95,;-1.23,-17.71,;.1,-16.94,;.09,-15.4,;-1.24,-14.63,;-2.57,-15.41,;1.42,-14.62,;2.49,-15.23,;1.42,-13.08,;2.74,-12.3,;2.73,-10.76,;1.39,-10,;.07,-10.78,;.08,-12.32,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;-5.24,-15.41,)| Show InChI InChI=1S/C55H49N7O8S/c1-31-39(7-6-8-44(31)59-50(65)32-9-13-34(14-10-32)55(2,3)4)45-30-60(5)52(67)49(58-45)56-35-15-11-33(12-16-35)51(66)61-23-25-62(26-24-61)54(71)57-36-17-20-40(43(27-36)53(68)69)48-41-21-18-37(63)28-46(41)70-47-29-38(64)19-22-42(47)48/h6-22,27-30,63H,23-26H2,1-5H3,(H,56,58)(H,57,71)(H,59,65)(H,68,69)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP				Bioorg Med Chem Lett 25: 2033-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.001 BindingDB Entry DOI: 10.7270/Q2VX0J60
					More data for this Ligand-Target Pair

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