Compile Data Set for Download or QSAR

Found 402 hits with Last Name = 'saitoh' and Initial = 'm'   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244722 (CHEMBL4075976) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21ClN4O3/c1-26-17-9-5-6-10-19(17)31-14-18(22(26)29)27-12-11-16-20(23(27)30)25-28(21(16)24)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244729 (CHEMBL4061975) Show SMILES CN1c2cc(ccc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-11-16(12-26)7-8-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244730 (CHEMBL4069537) Show SMILES CNC(=O)c1ccc2N(C)C(=O)[C@H](COc2c1)N1CCc2c(Cl)n(Cc3ccccc3)nc2C1=O |r| Show InChI InChI=1S/C25H24ClN5O4/c1-27-23(32)16-8-9-18-20(12-16)35-14-19(24(33)29(18)2)30-11-10-17-21(25(30)34)28-31(22(17)26)13-15-6-4-3-5-7-15/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,27,32)/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233225 (CHEMBL4071864) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244765 (CHEMBL4084681) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C#N)C2=O)C1=O |r| Show InChI InChI=1S/C24H21N5O3/c1-27-18-9-5-6-10-21(18)32-15-20(23(27)30)28-12-11-17-19(13-25)29(26-22(17)24(28)31)14-16-7-3-2-4-8-16/h2-10,20H,11-12,14-15H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244763 (CHEMBL4082215) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4c(F)cccc4F)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H20F2N4O3/c1-27-18-7-2-3-8-20(18)32-13-19(22(27)30)29-10-9-14-11-28(26-21(14)23(29)31)12-15-16(24)5-4-6-17(15)25/h2-8,11,19H,9-10,12-13H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244679 (CHEMBL4090975) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4ccccc4F)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21FN4O3/c1-26-18-8-4-5-9-20(18)31-14-19(22(26)29)28-11-10-16-13-27(25-21(16)23(28)30)12-15-6-2-3-7-17(15)24/h2-9,13,19H,10-12,14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244761 (CHEMBL4075705) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3cn(Cc4c(F)cccc4F)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H19F2N5O3/c1-29-19-6-5-14(10-27)9-21(19)34-13-20(23(29)32)31-8-7-15-11-30(28-22(15)24(31)33)12-16-17(25)3-2-4-18(16)26/h2-6,9,11,20H,7-8,12-13H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM15003 (3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...) Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244728 (CHEMBL4102622) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r| Show InChI InChI=1S/C24H23N5O4/c1-27-17-9-5-6-10-19(17)33-14-18(23(27)31)28-12-11-16-20(24(28)32)26-29(21(16)22(25)30)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H2,25,30)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244720 (CHEMBL4064701) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(C)n(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C24H24N4O3/c1-16-18-12-13-27(20-15-31-21-11-7-6-10-19(21)26(2)23(20)29)24(30)22(18)25-28(16)14-17-8-4-3-5-9-17/h3-11,20H,12-15H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244731 (CHEMBL4085728) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3cn(Cc4ccccc4F)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20FN5O3/c1-28-19-7-6-15(11-26)10-21(19)33-14-20(23(28)31)30-9-8-17-13-29(27-22(17)24(30)32)12-16-4-2-3-5-18(16)25/h2-7,10,13,20H,8-9,12,14H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244766 (CHEMBL4073321) Show SMILES CN(C)C(=O)c1ccc2N(C)C(=O)[C@H](COc2c1)N1CCc2c(Cl)n(Cc3ccccc3)nc2C1=O |r| Show InChI InChI=1S/C26H26ClN5O4/c1-29(2)24(33)17-9-10-19-21(13-17)36-15-20(25(34)30(19)3)31-12-11-18-22(26(31)35)28-32(23(18)27)14-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244678 (CHEMBL4088216) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H22N4O3/c1-25-18-9-5-6-10-20(18)30-15-19(22(25)28)27-12-11-17-14-26(24-21(17)23(27)29)13-16-7-3-2-4-8-16/h2-10,14,19H,11-13,15H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244710 (CHEMBL4071690) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4cccc(F)c4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21FN4O3/c1-26-18-7-2-3-8-20(18)31-14-19(22(26)29)28-10-9-16-13-27(25-21(16)23(28)30)12-15-5-4-6-17(24)11-15/h2-8,11,13,19H,9-10,12,14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244711 (CHEMBL4098708) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4ccc(F)cc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21FN4O3/c1-26-18-4-2-3-5-20(18)31-14-19(22(26)29)28-11-10-16-13-27(25-21(16)23(28)30)12-15-6-8-17(24)9-7-15/h2-9,13,19H,10-12,14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244714 (CHEMBL4060308) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(CC4CCC4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C21H24N4O3/c1-23-16-7-2-3-8-18(16)28-13-17(20(23)26)25-10-9-15-12-24(11-14-5-4-6-14)22-19(15)21(25)27/h2-3,7-8,12,14,17H,4-6,9-11,13H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244716 (CHEMBL4090065) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4cccnc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C22H21N5O3/c1-25-17-6-2-3-7-19(17)30-14-18(21(25)28)27-10-8-16-13-26(24-20(16)22(27)29)12-15-5-4-9-23-11-15/h2-7,9,11,13,18H,8,10,12,14H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244717 (CHEMBL4076592) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4ccccn4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C22H21N5O3/c1-25-17-7-2-3-8-19(17)30-14-18(21(25)28)27-11-9-15-12-26(24-20(15)22(27)29)13-16-6-4-5-10-23-16/h2-8,10,12,18H,9,11,13-14H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244676 (CHEMBL4100309) Show SMILES CN1c2ccccc2OC[C@H](N2CCn3nc(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C22H21N5O3/c1-25-16-9-5-6-10-18(16)30-14-17(21(25)28)26-11-12-27-20(22(26)29)23-19(24-27)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244670 (CHEMBL4077039) Show SMILES [O-][N+](=O)c1ccc2[nH]c(Cc3ccccc3)nc2c1 Show InChI InChI=1S/C14H11N3O2/c18-17(19)11-6-7-12-13(9-11)16-14(15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244677 (CHEMBL4066941) Show SMILES CN1c2ccccc2OC[C@H](N2CCn3cc(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H22N4O3/c1-25-18-9-5-6-10-20(18)30-15-19(22(25)28)27-12-11-26-14-17(24-21(26)23(27)29)13-16-7-3-2-4-8-16/h2-10,14,19H,11-13,15H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244777 (CHEMBL4082291) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3[nH]c(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H22N4O3/c1-26-17-9-5-6-10-19(17)30-14-18(22(26)28)27-12-11-16-21(23(27)29)25-20(24-16)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,24,25)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244762 (CHEMBL4063075) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3nn(Cc4ccccc4)cc3C2=O)C1=O |r| Show InChI InChI=1S/C23H22N4O3/c1-25-19-9-5-6-10-21(19)30-15-20(23(25)29)27-12-11-18-17(22(27)28)14-26(24-18)13-16-7-3-2-4-8-16/h2-10,14,20H,11-13,15H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244719 (CHEMBL4079755) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(CC4CCS(=O)(=O)C4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C21H24N4O5S/c1-23-16-4-2-3-5-18(16)30-12-17(20(23)26)25-8-6-15-11-24(22-19(15)21(25)27)10-14-7-9-31(28,29)13-14/h2-5,11,14,17H,6-10,12-13H2,1H3/t14?,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244764 (CHEMBL4097778) Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(CC4CCS(=O)(=O)CC4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C22H26N4O5S/c1-24-17-4-2-3-5-19(17)31-14-18(21(24)27)26-9-6-16-13-25(23-20(16)22(26)28)12-15-7-10-32(29,30)11-8-15/h2-5,13,15,18H,6-12,14H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of RIPK1 in human HT-29 cells assessed as decrease in TNFalpha/AT-406/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated f...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31587 (oxadiazole derivative, 20x) Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3	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	2.30	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31586 (oxadiazole derivative, 20w) Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C24H17F3N4O2S/c1-32-19-8-6-18(7-9-19)31-14-28-20-10-5-16(12-21(20)31)22-29-30-23(33-22)34-13-15-3-2-4-17(11-15)24(25,26)27/h2-12,14H,13H2,1H3	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	2.5	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of RIPK1 in mouse L929 cells assessed as decrease in TNFalpha/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated for 30 mi...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31578 (oxadiazole derivative, 20o) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3ncsc3c2)cc1C(F)(F)F Show InChI InChI=1S/C18H12F3N3O2S2/c1-25-14-5-2-10(6-12(14)18(19,20)21)8-27-17-24-23-16(26-17)11-3-4-13-15(7-11)28-9-22-13/h2-7,9H,8H2,1H3	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	3.10	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31584 (oxadiazole derivative, 20u) Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C25H17N3O3S/c1-29-20-8-5-18(6-9-20)22-14-30-23-10-7-19(12-21(22)23)24-27-28-25(31-24)32-15-17-4-2-3-16(11-17)13-26/h2-12,14H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3 (Homo sapiens (Human))	BDBM50134587 (CHEMBL3746157) Show SMILES NC(=O)c1nc(-c2ccns2)c2ccccn12 Show InChI InChI=1S/C11H8N4OS/c12-10(16)11-14-9(8-4-5-13-17-8)7-3-1-2-6-15(7)11/h1-6H,(H2,12,16)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay				Bioorg Med Chem Lett 26: 1086-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.054 BindingDB Entry DOI: 10.7270/Q28K7BXV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3 (Homo sapiens (Human))	BDBM50134589 (CHEMBL3747095) Show SMILES CNc1ccc(nc1C(N)=O)-c1ccncc1 Show InChI InChI=1S/C12H12N4O/c1-14-10-3-2-9(16-11(10)12(13)17)8-4-6-15-7-5-8/h2-7,14H,1H3,(H2,13,17)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay				Bioorg Med Chem Lett 26: 1086-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.054 BindingDB Entry DOI: 10.7270/Q28K7BXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31577 (oxadiazole derivative, 20n) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3occc3c2)cc1C(F)(F)F Show InChI InChI=1S/C19H13F3N2O3S/c1-25-16-4-2-11(8-14(16)19(20,21)22)10-28-18-24-23-17(27-18)13-3-5-15-12(9-13)6-7-26-15/h2-9H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31572 (oxadiazole derivative, 20m) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C(F)(F)F Show InChI InChI=1S/C19H15F3N2O3S/c1-25-16-4-2-11(8-14(16)19(20,21)22)10-28-18-24-23-17(27-18)13-3-5-15-12(9-13)6-7-26-15/h2-5,8-9H,6-7,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31580 (oxadiazole derivative, 20q) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3nccn3c2)cc1C(F)(F)F Show InChI InChI=1S/C18H13F3N4O2S/c1-26-14-4-2-11(8-13(14)18(19,20)21)10-28-17-24-23-16(27-17)12-3-5-15-22-6-7-25(15)9-12/h2-9H,10H2,1H3	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	6.5	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346122 (2-(4-(2-(4-bromo-5-methylthiophen-2-yl)-5-ethyl-6-...) Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1cc(Br)c(C)s1 Show InChI InChI=1S/C20H20BrN3O2S/c1-4-15-11(2)22-20(17-10-16(21)12(3)27-17)24-19(15)23-14-7-5-13(6-8-14)9-18(25)26/h5-8,10H,4,9H2,1-3H3,(H,25,26)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31583 (oxadiazole derivative, 20t) Show SMILES COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C25H17F3N2O3S/c1-31-19-8-5-16(6-9-19)21-13-32-22-10-7-17(12-20(21)22)23-29-30-24(33-23)34-14-15-3-2-4-18(11-15)25(26,27)28/h2-13H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31585 (oxadiazole derivative, 20v) Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1 Show InChI InChI=1S/C25H19F3N4O3S/c1-33-18-7-5-17(6-8-18)32-14-29-20-9-4-16(12-21(20)32)23-30-31-24(35-23)36-13-15-3-10-22(34-2)19(11-15)25(26,27)28/h3-12,14H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31588 (oxadiazole derivative, 20y) Show SMILES Cn1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C18H13F3N4OS/c1-25-10-22-14-6-5-12(8-15(14)25)16-23-24-17(26-16)27-9-11-3-2-4-13(7-11)18(19,20)21/h2-8,10H,9H2,1H3	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	9.40	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31570 (oxadiazole derivative, 20k) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1Cl Show InChI InChI=1S/C18H15ClN2O3S/c1-22-16-4-2-11(8-14(16)19)10-25-18-21-20-17(24-18)13-3-5-15-12(9-13)6-7-23-15/h2-5,8-9H,6-7,10H2,1H3	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	13	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50299079 (5-{3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl}...) Show SMILES CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(N)o1 Show InChI InChI=1S/C17H13N3O3S/c1-24(21)12-5-2-10(3-6-12)14-9-22-15-7-4-11(8-13(14)15)16-19-20-17(18)23-16/h2-9H,1H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346123 (2-(4-(5-ethyl-2-(5-fluorothiophen-2-yl)-6-methylpy...) Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1F)-c1ccc(F)s1 Show InChI InChI=1S/C19H17F2N3O2S/c1-3-12-10(2)22-19(15-6-7-16(21)27-15)24-18(12)23-14-5-4-11(8-13(14)20)9-17(25)26/h4-8H,3,9H2,1-2H3,(H,25,26)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50346121 (2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...) Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1 Show InChI InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates				Bioorg Med Chem Lett 19: 3174-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.121 BindingDB Entry DOI: 10.7270/Q26110NQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31579 (oxadiazole derivative, 20p) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3[nH]ncc3c2)cc1C(F)(F)F Show InChI InChI=1S/C18H13F3N4O2S/c1-26-15-5-2-10(6-13(15)18(19,20)21)9-28-17-25-24-16(27-17)11-3-4-14-12(7-11)8-22-23-14/h2-8H,9H2,1H3,(H,22,23)	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	16	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50058973 (3-(3,4-Dichloro-benzenesulfonyl)-1-phenyl-imidazol...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-7-6-11(8-13(12)17)24(22,23)19-14(20)9-18(15(19)21)10-4-2-1-3-5-10/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human heart chymase in vitro.				J Med Chem 40: 2156-63 (1997) Article DOI: 10.1021/jm960793t BindingDB Entry DOI: 10.7270/Q2QJ7GDG
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM31581 (oxadiazole derivative, 20r) Show SMILES COc1ccc(CSc2nnc(o2)-c2ccc3ncccc3c2)cc1C(F)(F)F Show InChI InChI=1S/C20H14F3N3O2S/c1-27-17-7-4-12(9-15(17)20(21,22)23)11-29-19-26-25-18(28-19)14-5-6-16-13(10-14)3-2-8-24-16/h2-10H,11H2,1H3	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	18	n/a	n/a	n/a	n/a	7.5	37
Takeda Pharmaceutical Company Ltd.					Assay Description Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...				Bioorg Med Chem 17: 2017-29 (2009) Article DOI: 10.1016/j.bmc.2009.01.019 BindingDB Entry DOI: 10.7270/Q2DR2STZ
					More data for this Ligand-Target Pair

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