Compile Data Set for Download or QSAR

Found 951 hits with Last Name = 'parrish' and Initial = 'k'   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282825 (6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...) Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of TGFBR1 in human whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 (Mus musculus)	BDBM282825 (6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...) Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of TGFBR1 in mouse whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375967 (US10947243, Example 45 | US9914735, Example 45) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375967 (US10947243, Example 45 | US9914735, Example 45) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(16-9-22(29)24-10-16)30-21-8-15(7-20-19(21)13-27(2)26-20)17-11-25-28(12-17)18-3-5-23-6-4-18/h7-8,11-14,16,18,23H,3-6,9-10H2,1-2H3,(H,24,29)/t14-,16-/m1/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140390 (US10947243, Example 115 | US8912173, 115 | US99147...) Show SMILES CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-13(2)25-12-17(11-24-25)15-7-19-18(5-4-6-22-19)20(8-15)27-14(3)16-9-21(26)23-10-16/h4-8,11-14,16H,9-10H2,1-3H3,(H,23,26)/t14-,16-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140390 (US10947243, Example 115 | US8912173, 115 | US99147...) Show SMILES CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-13(2)25-12-17(11-24-25)15-7-19-18(5-4-6-22-19)20(8-15)27-14(3)16-9-21(26)23-10-16/h4-8,11-14,16H,9-10H2,1-3H3,(H,23,26)/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140389 (US10947243, Example 114 | US8912173, 114 | US99147...) Show SMILES CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r| Show InChI InChI=1S/C21H24N4O2/c1-3-7-25-13-17(12-24-25)15-8-19-18(5-4-6-22-19)20(9-15)27-14(2)16-10-21(26)23-11-16/h4-6,8-9,12-14,16H,3,7,10-11H2,1-2H3,(H,23,26)/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50552696 (CHEMBL4778959) Show SMILES CN1CCC(CC1)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal GST-tagged HPK1 (1 to 346 residues) expressed in baculovirus infected Sf9 cells using NH2-fluorescein-RFAR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50552697 (CHEMBL4780798) Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C45CCN(CC4)CC5)c(N[C@H](CO)c4ccccc4)n3)cc12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal GST-tagged HPK1 (1 to 346 residues) expressed in baculovirus infected Sf9 cells using NH2-fluorescein-RFAR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50552697 (CHEMBL4780798) Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C45CCN(CC4)CC5)c(N[C@H](CO)c4ccccc4)n3)cc12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50509622 (CHEMBL4455462) Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C(N)=O)n2c1 Show InChI InChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia 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
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50509619 (CHEMBL4440988) Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140369 (US10947243, Example 94 | US8912173, 94 | US9914735...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C23H22N4O2/c1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2/h3-10,13-14,17H,11-12H2,1-2H3,(H,25,28)/t14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140380 (US10947243, Example 105 | US8912173, 105 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C24H24N4O2/c1-14(18-12-24(29)26-13-18)30-23-11-17(10-20-19(23)5-4-8-25-20)16-6-7-22-21(9-16)27-15(2)28(22)3/h4-11,14,18H,12-13H2,1-3H3,(H,26,29)/t14-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375964 (US10947243, Example 41 | US9914735, Example 41) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(F)cn1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375966 (US10947243, Example 43 | US9914735, Example 43) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnc2ccc(cn12)C#N)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H20N6O2/c1-13(16-7-22(29)25-9-16)30-20-6-15(5-18-17(20)12-27(2)26-18)19-10-24-21-4-3-14(8-23)11-28(19)21/h3-6,10-13,16H,7,9H2,1-2H3,(H,25,29)/t13-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375944 (US10947243, Example 10 | US9914735, Example 10) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCC(F)(F)CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H26F2N6O2/c1-13(14-7-20(31)25-9-14)32-21-17-12-29(2)28-19(17)8-18(27-21)15-10-26-30(11-15)16-3-5-22(23,24)6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,25,31)/t13-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375966 (US10947243, Example 43 | US9914735, Example 43) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnc2ccc(cn12)C#N)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H20N6O2/c1-13(16-7-22(29)25-9-16)30-20-6-15(5-18-17(20)12-27(2)26-18)19-10-24-21-4-3-14(8-23)11-28(19)21/h3-6,10-13,16H,7,9H2,1-2H3,(H,25,29)/t13-,16-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375944 (US10947243, Example 10 | US9914735, Example 10) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCC(F)(F)CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H26F2N6O2/c1-13(14-7-20(31)25-9-14)32-21-17-12-29(2)28-19(17)8-18(27-21)15-10-26-30(11-15)16-3-5-22(23,24)6-4-16/h8,10-14,16H,3-7,9H2,1-2H3,(H,25,31)/t13-,14-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140384 (US10947243, Example 109 | US8912173, 109 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2[nH]c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50468184 (CHEMBL4284170) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(n1)C(F)F Show InChI InChI=1S/C20H15F2N5O/c1-11(28)25-16-10-12(7-9-23-16)18-17(19-14(27-18)6-3-8-24-19)13-4-2-5-15(26-13)20(21)22/h2-10,20,27H,1H3,(H,23,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of TGFbetaR1 T204D mutant (unknown origin) kinase domain after 1 hr by HTRF assay				ACS Med Chem Lett 9: 1117-1122 (2018) Article DOI: 10.1021/acsmedchemlett.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0R22
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50509621 (CHEMBL4458215) Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2nccn2c1 Show InChI InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140369 (US10947243, Example 94 | US8912173, 94 | US9914735...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C23H22N4O2/c1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2/h3-10,13-14,17H,11-12H2,1-2H3,(H,25,28)/t14-,17-/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	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140380 (US10947243, Example 105 | US8912173, 105 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C24H24N4O2/c1-14(18-12-24(29)26-13-18)30-23-11-17(10-20-19(23)5-4-8-25-20)16-6-7-22-21(9-16)27-15(2)28(22)3/h4-11,14,18H,12-13H2,1-3H3,(H,26,29)/t14-,18-/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	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375964 (US10947243, Example 41 | US9914735, Example 41) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(F)cn1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11(13-7-19(25)22-8-13)26-18-6-12(16-4-3-14(20)9-21-16)5-17-15(18)10-24(2)23-17/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,25)/t11-,13-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140384 (US10947243, Example 109 | US8912173, 109 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2[nH]c(C)nc2c1)[C@H]1CNC(=O)C1 |r| Show InChI	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	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375960 (US10947243, Example 35 | US9914735, Example 35) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C18H18F2N4O2S/c1-9(11-5-16(25)21-6-11)26-15-4-10(3-13-12(15)7-24(2)23-13)14-8-27-18(22-14)17(19)20/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,21,25)/t9-,11-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375942 (US10947243, Example 8 | US9914735, Example 8) Show SMILES COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r| Show InChI InChI=1S/C20H22N4O4/c1-11(13-7-19(26)21-9-13)28-20-14-10-24(2)23-16(14)8-15(22-20)12-4-5-17(25)18(6-12)27-3/h4-6,8,10-11,13,25H,7,9H2,1-3H3,(H,21,26)/t11-,13-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50552695 (CHEMBL4789200) Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)-c4ccncc4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of recombinant human N-terminal GST-tagged HPK1 (1 to 346 residues) expressed in baculovirus infected Sf9 cells using NH2-fluorescein-RFAR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50552691 (CHEMBL4750822) Show SMILES CC(C)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal GST-tagged HPK1 (1 to 346 residues) expressed in baculovirus infected Sf9 cells using NH2-fluorescein-RFAR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50552692 (CHEMBL4759406) Show SMILES CC(C)(C)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal GST-tagged HPK1 (1 to 346 residues) expressed in baculovirus infected Sf9 cells using NH2-fluorescein-RFAR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50552696 (CHEMBL4778959) Show SMILES CN1CCC(CC1)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50552690 (CHEMBL4758114) Show SMILES CCc1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N-terminal GST-tagged HPK1 (1 to 346 residues) expressed in baculovirus infected Sf9 cells using NH2-fluorescein-RFAR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00660 BindingDB Entry DOI: 10.7270/Q2DN48N7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282792 (6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...) Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H11F3N6/c19-12-3-1-11(2-4-12)17-18(26(10-24-17)9-15(20)21)14-5-6-16-23-8-13(7-22)27(16)25-14/h1-6,8,10,15H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282825 (6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...) Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375957 (US10947243, Example 29 | US9914735, Example 29) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cscn1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C17H18N4O2S/c1-10(12-5-17(22)18-6-12)23-16-4-11(15-8-24-9-19-15)3-14-13(16)7-21(2)20-14/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375965 (US10947243, Example 42 | US9914735, Example 42) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C26H32N4O2/c1-17(22-14-26(31)27-15-22)32-25-13-21(12-24-23(25)16-30(3)28-24)19-6-4-18(5-7-19)20-8-10-29(2)11-9-20/h4-7,12-13,16-17,20,22H,8-11,14-15H2,1-3H3,(H,27,31)/t17-,22-/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375982 (US10947243, Example 61 | US9914735, Example 61) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C(F)(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C19H18F3N5O2/c1-10(12-5-17(28)24-8-12)29-18-13-9-27(2)26-15(13)6-14(25-18)11-3-4-16(23-7-11)19(20,21)22/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,24,28)/t10-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375965 (US10947243, Example 42 | US9914735, Example 42) Show SMILES C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C26H32N4O2/c1-17(22-14-26(31)27-15-22)32-25-13-21(12-24-23(25)16-30(3)28-24)19-6-4-18(5-7-19)20-8-10-29(2)11-9-20/h4-7,12-13,16-17,20,22H,8-11,14-15H2,1-3H3,(H,27,31)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375982 (US10947243, Example 61 | US9914735, Example 61) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C(F)(F)F)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C19H18F3N5O2/c1-10(12-5-17(28)24-8-12)29-18-13-9-27(2)26-15(13)6-14(25-18)11-3-4-16(23-7-11)19(20,21)22/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,24,28)/t10-,12-/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM140360 (US10947243, Example 85 | US8912173, 85 | US9914735...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2nc(C)sc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C23H21N3O2S/c1-13(17-11-23(27)25-12-17)28-21-9-16(8-20-18(21)4-3-7-24-20)15-5-6-19-22(10-15)29-14(2)26-19/h3-10,13,17H,11-12H2,1-2H3,(H,25,27)/t13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM375941 (US10947243, Example 7 | US9914735, Example 7) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCC1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(15-8-21(29)23-10-15)30-22-18-13-27(2)26-20(18)9-19(25-22)16-11-24-28(12-16)17-6-4-3-5-7-17/h9,11-15,17H,3-8,10H2,1-2H3,(H,23,29)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) in 50...				US Patent US10947243 (2021) BindingDB Entry DOI: 10.7270/Q2ZP4964
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM375949 (US10947243, Example 76 | US9914735, Example 15 | U...) Show SMILES C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C19H21F3N6O2/c1-11(12-5-17(29)23-7-12)30-18-14-10-27(2)26-16(14)6-15(25-18)13-8-24-28(9-13)4-3-19(20,21)22/h6,8-12H,3-5,7H2,1-2H3,(H,23,29)/t11-,12-/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM140376 (US10947243, Example 101 | US8912173, 101 | US99147...) Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2CCNCc2c1)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C24H25N3O2/c1-15(19-12-24(28)27-14-19)29-23-11-18(10-22-21(23)3-2-7-26-22)17-5-4-16-6-8-25-13-20(16)9-17/h2-5,7,9-11,15,19,25H,6,8,12-14H2,1H3,(H,27,28)/t15-,19-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q21G0PJ6
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50468182 (CHEMBL4292047) Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(C)n1 Show InChI InChI=1S/C20H17N5O/c1-12-5-3-6-15(23-12)18-19(25-16-7-4-9-22-20(16)18)14-8-10-21-17(11-14)24-13(2)26/h3-11,25H,1-2H3,(H,21,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of TGFbetaR1 T204D mutant (unknown origin) kinase domain after 1 hr by HTRF assay				ACS Med Chem Lett 9: 1117-1122 (2018) Article DOI: 10.1021/acsmedchemlett.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0R22
					More data for this Ligand-Target Pair

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