Compile Data Set for Download or QSAR

Found 844 hits with Last Name = 'currie' and Initial = 'ks'   

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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50507816 (Bms-986165 | Deucravacitinib) Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Binding affinity to TYK2 pseudokinase domain (unknown origin)				Bioorg Med Chem Lett 29: 2034-2041 (2019) Article DOI: 10.1016/j.bmcl.2019.06.042 BindingDB Entry DOI: 10.7270/Q2H70KB6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111939 (US8618107, 105) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged BTK expressed in baculovirus expression system by Z-LYTE assay				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511430 (CHEMBL4455353) Show SMILES Cc1cccc(c1C)-c1nc(NC(N)=O)cc2NCCCc12 Show InChI InChI=1S/C17H20N4O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-19-14(13)9-15(20-16)21-17(18)22/h3,5-6,9,19H,4,7-8H2,1-2H3,(H3,18,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511431 (CHEMBL4468099) Show SMILES CNC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H22N4O/c1-11-6-4-7-13(12(11)2)17-14-8-5-9-20-15(14)10-16(21-17)22-18(23)19-3/h4,6-7,10,20H,5,8-9H2,1-3H3,(H2,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511453 (CHEMBL4451394) Show SMILES Cc1cccc(c1C)-c1nc(NC(=O)C2CCC2)cc2NCCCc12 Show InChI InChI=1S/C21H25N3O/c1-13-6-3-9-16(14(13)2)20-17-10-5-11-22-18(17)12-19(23-20)24-21(25)15-7-4-8-15/h3,6,9,12,15,22H,4-5,7-8,10-11H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511452 (CHEMBL4570266) Show SMILES Cc1cccc(c1C)-c1nc(NC(=O)C2CC2)cc2NCCCc12 Show InChI InChI=1S/C20H23N3O/c1-12-5-3-6-15(13(12)2)19-16-7-4-10-21-17(16)11-18(22-19)23-20(24)14-8-9-14/h3,5-6,11,14,21H,4,7-10H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511454 (CHEMBL4460228) Show SMILES Cc1cccc(c1C)-c1nc(NC(=O)C(F)F)cc2NCCCc12 Show InChI InChI=1S/C18H19F2N3O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-21-14(13)9-15(22-16)23-18(24)17(19)20/h3,5-6,9,17,21H,4,7-8H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511432 (CHEMBL4435945) Show SMILES COC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O2/c1-11-6-4-7-13(12(11)2)17-14-8-5-9-19-15(14)10-16(20-17)21-18(22)23-3/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511466 (CHEMBL4529335) Show SMILES CCC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C19H23N3O/c1-4-18(23)21-17-11-16-15(9-6-10-20-16)19(22-17)14-8-5-7-12(2)13(14)3/h5,7-8,11,20H,4,6,9-10H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152144 (CHEMBL3781661) Show SMILES Cc1cnc(N)nc1OCC(C)(C)C Show InChI InChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US11111242, Example 5 | US2023034848...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST tagged JAK3 kinase domain (781 to 1124 amino acids) expressed in insect cells in presence of ATP				Bioorg Med Chem Lett 29: 2034-2041 (2019) Article DOI: 10.1016/j.bmcl.2019.06.042 BindingDB Entry DOI: 10.7270/Q2H70KB6
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511448 (CHEMBL4460446) Show SMILES CNc1cc(NC(C)=O)nc(c1)-c1cccc(C)c1C Show InChI InChI=1S/C16H19N3O/c1-10-6-5-7-14(11(10)2)15-8-13(17-4)9-16(19-15)18-12(3)20/h5-9H,1-4H3,(H2,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015453 (CHEMBL3265037) Show SMILES COc1cc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)ccc1N1CCOCC1 Show InChI InChI=1S/C24H23N7O2/c1-32-22-13-18(4-5-21(22)30-8-10-33-11-9-30)27-23-24-25-6-7-31(24)15-20(28-23)16-2-3-17-14-26-29-19(17)12-16/h2-7,12-15H,8-11H2,1H3,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511428 (CHEMBL4435983) Show SMILES CNc1cc(nc(N)n1)N(C)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C14H19N5/c1-10(11-7-5-4-6-8-11)19(3)13-9-12(16-2)17-14(15)18-13/h4-10H,1-3H3,(H3,15,16,17,18)/t10-/m0/s1	PDB UniProtKB/SwissProt 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
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511463 (CHEMBL4577002) Show SMILES CC(C)C(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C20H25N3O/c1-12(2)20(24)23-18-11-17-16(9-6-10-21-17)19(22-18)15-8-5-7-13(3)14(15)4/h5,7-8,11-12,21H,6,9-10H2,1-4H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511457 (CHEMBL4537820) Show SMILES CNc1cc(O[C@@H](C)c2ccccc2)nc(N)n1 |r| Show InChI InChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)18-12-8-11(15-2)16-13(14)17-12/h3-9H,1-2H3,(H3,14,15,16,17)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using dGTP as substrate measured after 30 mins by mala...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538456 (CHEMBL4649800) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C25H26N8/c1-2-31-11-13-32(14-12-31)21-7-5-20(6-8-21)28-24-25-26-9-10-33(25)17-23(29-24)18-3-4-19-16-27-30-22(19)15-18/h3-10,15-17H,2,11-14H2,1H3,(H,27,30)(H,28,29)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511439 (CHEMBL4565830) Show SMILES CNc1cc(nc(N)n1)N1CCCCC1 Show InChI InChI=1S/C10H17N5/c1-12-8-7-9(14-10(11)13-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H3,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511458 (CHEMBL4534555) Show SMILES CNc1cc(nc(N)n1)N1CCc2ccccc2C1 Show InChI InChI=1S/C14H17N5/c1-16-12-8-13(18-14(15)17-12)19-7-6-10-4-2-3-5-11(10)9-19/h2-5,8H,6-7,9H2,1H3,(H3,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015454 (CHEMBL3264995) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC Show InChI InChI=1S/C28H23N5O5/c1-37-23-11-10-21(15-24(23)38-2)30-25-26-29-12-13-33(26)16-22(32-25)18-4-3-5-19(14-18)27(34)31-20-8-6-17(7-9-20)28(35)36/h3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111938 (US8618107, 104) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO Show InChI InChI=1S/C28H27N5O3S/c1-32-14-17(13-22(27(32)35)31-25-9-11-29-16-30-25)18-6-4-7-23(21(18)15-34)33-12-10-20-19-5-2-3-8-24(19)37-26(20)28(33)36/h4,6-7,9,11,13-14,16,34H,2-3,5,8,10,12,15H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538455 (CHEMBL4637943) Show SMILES CN(C)C[C@@H]1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 |r| Show InChI InChI=1S/C26H28N8O/c1-32(2)15-22-16-33(11-12-35-22)21-7-5-20(6-8-21)29-25-26-27-9-10-34(26)17-24(30-25)18-3-4-19-14-28-31-23(19)13-18/h3-10,13-14,17,22H,11-12,15-16H2,1-2H3,(H,28,31)(H,29,30)/t22-/m1/s1	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538457 (CHEMBL4638089) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C26H28N8O/c1-35-15-14-32-10-12-33(13-11-32)22-6-4-21(5-7-22)29-25-26-27-8-9-34(26)18-24(30-25)19-2-3-20-17-28-31-23(20)16-19/h2-9,16-18H,10-15H2,1H3,(H,28,31)(H,29,30)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111953 (US8618107, 212) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1 Show InChI InChI=1S/C34H37FN6O3S/c1-38-11-13-40(14-12-38)23-7-8-31(36-18-23)37-28-15-21(19-39(2)33(28)43)26-16-22(35)17-29(27(26)20-42)41-10-9-25-24-5-3-4-6-30(24)45-32(25)34(41)44/h7-8,15-19,42H,3-6,9-14,20H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111940 (US8618107, 106) Show SMILES Cn1cc(cc(Nc2cc(n[nH]2)C2CC2)c1=O)-c1cccc(N2CCn3c4CCCCc4cc3C2=O)c1CO Show InChI InChI=1S/C30H32N6O3/c1-34-16-20(13-24(29(34)38)31-28-15-23(32-33-28)18-9-10-18)21-6-4-8-26(22(21)17-37)36-12-11-35-25-7-3-2-5-19(25)14-27(35)30(36)39/h4,6,8,13-16,18,37H,2-3,5,7,9-12,17H2,1H3,(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111938 (US8618107, 104) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CCCCc4sc3C2=O)c1CO Show InChI InChI=1S/C28H27N5O3S/c1-32-14-17(13-22(27(32)35)31-25-9-11-29-16-30-25)18-6-4-7-23(21(18)15-34)33-12-10-20-19-5-2-3-8-24(19)37-26(20)28(33)36/h4,6-7,9,11,13-14,16,34H,2-3,5,8,10,12,15H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134365 (CHEMBL3745935) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3F)cc2C1 Show InChI InChI=1S/C26H21F2N7O2S/c1-34-8-9-35-15(13-34)11-22(33-35)29-19-12-18(31-32-25(19)36)16-6-7-17(27)24(23(16)28)30-26(37)21-10-14-4-2-3-5-20(14)38-21/h2-7,10-12H,8-9,13H2,1H3,(H,30,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538454 (CHEMBL4643354) Show SMILES OC[C@H]1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 |r| Show InChI InChI=1S/C24H23N7O2/c32-15-20-13-30(9-10-33-20)19-5-3-18(4-6-19)27-23-24-25-7-8-31(24)14-22(28-23)16-1-2-17-12-26-29-21(17)11-16/h1-8,11-12,14,20,32H,9-10,13,15H2,(H,26,29)(H,27,28)/t20-/m1/s1	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511441 (CHEMBL4464305) Show SMILES CNc1cc(nc(N)n1)N1CCCc2ccccc12 Show InChI InChI=1S/C14H17N5/c1-16-12-9-13(18-14(15)17-12)19-8-4-6-10-5-2-3-7-11(10)19/h2-3,5,7,9H,4,6,8H2,1H3,(H3,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538453 (CHEMBL4647927) Show SMILES OC1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C24H23N7O/c32-20-7-10-30(11-8-20)19-5-3-18(4-6-19)27-23-24-25-9-12-31(24)15-22(28-23)16-1-2-17-14-26-29-21(17)13-16/h1-6,9,12-15,20,32H,7-8,10-11H2,(H,26,29)(H,27,28)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111975 (US8618107, 287) Show SMILES CN1CCCC1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1 Show InChI InChI=1S/C35H38FN5O3S/c1-35(2)15-25-23-9-11-41(34(44)32(23)45-30(25)16-35)29-14-22(36)13-24(26(29)19-42)21-12-27(33(43)40(4)18-21)38-31-8-7-20(17-37-31)28-6-5-10-39(28)3/h7-8,12-14,17-18,28,42H,5-6,9-11,15-16,19H2,1-4H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015447 (CHEMBL3265031) Show SMILES CC1(O)CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C25H25N7O/c1-25(33)8-11-31(12-9-25)20-6-4-19(5-7-20)28-23-24-26-10-13-32(24)16-22(29-23)17-2-3-18-15-27-30-21(18)14-17/h2-7,10,13-16,33H,8-9,11-12H2,1H3,(H,27,30)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015460 (CHEMBL3265001) Show SMILES COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)-c2nn[nH]n2)cc1OC Show InChI InChI=1S/C28H23N9O3/c1-39-23-11-10-21(15-24(23)40-2)30-26-27-29-12-13-37(27)16-22(32-26)18-4-3-5-19(14-18)28(38)31-20-8-6-17(7-9-20)25-33-35-36-34-25/h3-16H,1-2H3,(H,30,32)(H,31,38)(H,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538469 (CHEMBL4643695) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3cc[nH]c3n2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-18(32-9-11-33(12-10-32)19-15-35-16-19)4-2-17(1)29-24-25-27-7-8-34(25)14-22(31-24)21-13-28-20-5-6-26-23(20)30-21/h1-8,13-14,19H,9-12,15-16H2,(H,26,30)(H,29,31)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111978 (US8618107, 291) Show SMILES CN1CCC[C@@H]1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1 |r| Show InChI InChI=1S/C35H39FN6O3/c1-35(2)16-22-13-30-34(45)42(11-10-41(30)31(22)17-35)29-15-24(36)14-25(26(29)20-43)23-12-27(33(44)40(4)19-23)38-32-8-7-21(18-37-32)28-6-5-9-39(28)3/h7-8,12-15,18-19,28,43H,5-6,9-11,16-17,20H2,1-4H3,(H,37,38)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.74	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					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	1.90	1.5	n/a	n/a	n/a	7.5	23
CGI Pharmaceuticals					Assay Description Biochemical assay using Lanthascreen (human, full-lenght, C-terminal v5-His6 expressed in Sf9 cell) assay from Invitrogen.				Nat Chem Biol 7: 41-50 (2011) Article DOI: 10.1038/nchembio.481 BindingDB Entry DOI: 10.7270/Q2B56H2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111949 (US8618107, 131) Show SMILES CCn1cc(Nc2nc(cn(C)c2=O)-c2cccc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)cn1 Show InChI InChI=1S/C29H32N6O3S/c1-5-34-14-17(13-30-34)31-26-28(38)33(4)15-22(32-26)18-7-6-8-23(21(18)16-36)35-10-9-19-20-11-29(2,3)12-24(20)39-25(19)27(35)37/h6-8,13-15,36H,5,9-12,16H2,1-4H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111951 (US8618107, 197) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCn4c5CCCCc5cc4C3=O)c2CO)nc1 Show InChI InChI=1S/C34H38FN7O3/c1-38-9-11-40(12-10-38)25-7-8-32(36-19-25)37-28-15-23(20-39(2)33(28)44)26-17-24(35)18-30(27(26)21-43)42-14-13-41-29-6-4-3-5-22(29)16-31(41)34(42)45/h7-8,15-20,43H,3-6,9-14,21H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	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	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111935 (US8618107, 101) Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4CCn5c6CCCCc6cc5C4=O)c3C)cc2C1 Show InChI InChI=1S/C29H32N8O2/c1-18-21(22-16-23(28(38)32-31-22)30-27-15-20-17-34(2)10-13-37(20)33-27)7-5-9-24(18)36-12-11-35-25-8-4-3-6-19(25)14-26(35)29(36)39/h5,7,9,14-16H,3-4,6,8,10-13,17H2,1-2H3,(H,32,38)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50254236 (CHEMBL4090189) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C29H30N6O3/c1-29(2)13-18-12-24-28(38)35(10-9-34(24)25(18)14-29)23-6-4-5-20(21(23)16-36)19-11-22(27(37)33(3)15-19)32-26-7-8-30-17-31-26/h4-8,11-12,15,17,36H,9-10,13-14,16H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111939 (US8618107, 105) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells prein...				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111956 (US8618107, 268) Show SMILES CN(C)CCOc1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1 Show InChI InChI=1S/C33H36FN5O4S/c1-37(2)12-13-43-22-8-9-30(35-17-22)36-27-14-20(18-38(3)32(27)41)25-15-21(34)16-28(26(25)19-40)39-11-10-24-23-6-4-5-7-29(23)44-31(24)33(39)42/h8-9,14-18,40H,4-7,10-13,19H2,1-3H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111976 (US8618107, 288) Show SMILES CN1CCCC1c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CCCCc5sc4C3=O)c2CO)nc1 Show InChI InChI=1S/C34H36FN5O3S/c1-38-12-5-7-28(38)20-9-10-31(36-17-20)37-27-14-21(18-39(2)33(27)42)25-15-22(35)16-29(26(25)19-41)40-13-11-24-23-6-3-4-8-30(23)44-32(24)34(40)43/h9-10,14-18,28,41H,3-8,11-13,19H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015449 (CHEMBL3265033) Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C23H21N7O2S/c31-33(32)11-9-29(10-12-33)19-5-3-18(4-6-19)26-22-23-24-7-8-30(23)15-21(27-22)16-1-2-17-14-25-28-20(17)13-16/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111982 (US8618107, 295) Show SMILES CN1CCC(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1 Show InChI InChI=1S/C36H40FN5O3S/c1-36(2)16-27-25-9-12-42(35(45)33(25)46-31(27)17-36)30-15-24(37)14-26(28(30)20-43)23-13-29(34(44)41(4)19-23)39-32-6-5-22(18-38-32)21-7-10-40(3)11-8-21/h5-6,13-15,18-19,21,43H,7-12,16-17,20H2,1-4H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Connecticut, Inc.; Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen ass...				US Patent US8618107 (2013) BindingDB Entry DOI: 10.7270/Q2T72G3C
					More data for this Ligand-Target Pair

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