Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'matsuo' and Initial = 'a'   

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-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged Aurora kinase-A (1 to 403 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged INSR cytoplasmic domain (1005 to 1310 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged EPHA2 cytoplasmic domain (572 to 976 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged FAK cytoplasmic domain (376 to 1052 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged YES (1 to 543 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of FYN (unknown origin)				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LYN (unknown origin)				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged BRK (2 to 451 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged RAF1 catalytic domain (306 to 648 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged AKT1 catalytic domain (104 to 480 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PKCzeta (1 to 592 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PKCalpha (1 to 351 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PKCbeta2 (1 to 673 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged p38-alpha (9 to 352 residues) expressed in Escherichia coli expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged KIT cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged FGFR2 cytoplasmic domain (399 to 821 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged AXL cytoplasmic domain (464 to 885 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged RON cytoplasmic domain (979 to 1400 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged MET cytoplasmic domain (956 to 1390 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged KDR cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged LCK (1 to 509 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Leukocyte tyrosine kinase receptor (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged LTK cytoplasmic domain (498 to 796 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged DDR1 cytoplasmic domain (444 to 876 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged IGF1R cytoplasmic domain (959 to 1367 residues) expressed in baculovirus expression system				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50235176 (CHEMBL4095421) Show SMILES CN1CCN(CC1)c1cccc2cc(NC(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)cc3)ccc12 Show InChI InChI=1S/C29H28N6O2/c1-34-15-17-35(18-16-34)26-4-2-3-20-19-22(7-10-24(20)26)33-29(36)32-21-5-8-23(9-6-21)37-27-12-14-31-28-25(27)11-13-30-28/h2-14,19H,15-18H2,1H3,(H,30,31)(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50368125 (ADENOSINE DIPHOSPHATE | ADP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50368125 (ADENOSINE DIPHOSPHATE | ADP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 ...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.70E+5	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 ...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 ...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 ...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM206104 (US9255110, 17) Show SMILES COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Show InChI InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 resi...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50366480 (ADENOSINE TRIPHOSPHATE | ATP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM14487 ((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 ...				Bioorg Med Chem Lett 27: 1031-1036 (2017) Article DOI: 10.1016/j.bmcl.2016.12.064 BindingDB Entry DOI: 10.7270/Q22J6F3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM473993 (3-[(1S,2S)-1-[2-[2-(3,5-Dimethylphenyl)-3-[3-(1-me...) Show SMILES CCc1nccc(-c2ccc3n(c(cc3c2)C(=O)N2CCc3nn(c(c3C2)-n2ccn(-c3ccc4n(C)ccc4c3)c2=O)-c2cc(C)cc(C)c2)[C@]2(C[C@H]2C)c2noc(=O)[nH]2)c1C |r,wD:51.58,53.62,(9.19,-11.51,;7.65,-11.51,;6.88,-12.85,;7.65,-14.18,;6.88,-15.51,;5.34,-15.51,;4.57,-14.18,;3.03,-14.18,;2.26,-15.51,;.72,-15.51,;-.05,-14.18,;-1.56,-13.86,;-1.72,-12.33,;-.31,-11.7,;.72,-12.85,;2.26,-12.85,;-3.05,-11.56,;-4.39,-12.33,;-3.05,-10.02,;-4.39,-9.25,;-4.39,-7.71,;-3.05,-6.94,;-2.73,-5.43,;-1.2,-5.27,;-.58,-6.68,;-1.72,-7.71,;-1.72,-9.25,;.76,-7.45,;1.23,-8.91,;2.77,-8.91,;3.25,-7.45,;4.74,-7.05,;5.14,-5.56,;6.62,-5.16,;7.71,-6.25,;9.25,-6.17,;10.02,-4.84,;9.8,-7.61,;8.61,-8.58,;7.31,-7.74,;5.83,-8.14,;2,-6.54,;2,-5,;-.43,-3.94,;-1.2,-2.6,;-.43,-1.27,;-1.2,.06,;1.11,-1.27,;1.88,-2.6,;3.42,-2.6,;1.11,-3.94,;-2.33,-15.19,;-3.66,-14.42,;-3.66,-15.96,;-4.43,-17.3,;-1.56,-16.53,;-2.46,-17.77,;-1.56,-19.02,;-.09,-18.54,;1.24,-19.31,;-.09,-17,;5.34,-12.85,;4.57,-11.51,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description hGLP1R-HEK293 was seeded in 96 well plates at 2.0×104 cells per well and cultured over night. The medium for culturing the cells was changed to 50 &#...				US Patent US10858356 (2020) BindingDB Entry DOI: 10.7270/Q27947SM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM473996 (US10858356, Example 2) Show SMILES CCc1nccc(-c2ccc3n(c(cc3c2)C(=O)N2CCc3nn(c(c3C2)-n2ccn(-c3ccc4n(C)ncc4c3)c2=O)-c2cc(C)c(F)c(C)c2)[C@]2(C[C@@H]2C)c2noc(=O)[nH]2)c1C |r,wU:54.63,wD:52.59,(4.24,-8.42,;5.01,-7.09,;4.24,-5.75,;5.01,-4.42,;4.24,-3.09,;2.7,-3.09,;1.93,-4.42,;.39,-4.42,;-.38,-5.75,;-1.92,-5.75,;-2.69,-4.42,;-4.19,-4.1,;-4.35,-2.57,;-2.95,-1.94,;-1.92,-3.09,;-.38,-3.09,;-5.69,-1.8,;-7.02,-2.57,;-5.69,-.26,;-7.02,.51,;-7.02,2.05,;-5.69,2.82,;-5.37,4.33,;-3.84,4.49,;-3.21,3.08,;-4.35,2.05,;-4.35,.51,;-1.7,2.76,;-1.23,1.3,;.31,1.3,;.79,2.76,;2.12,3.53,;3.46,2.76,;4.79,3.53,;4.79,5.07,;5.93,6.1,;7.44,5.78,;5.31,7.51,;3.78,7.35,;3.46,5.84,;2.12,5.07,;-.46,3.67,;-.46,5.21,;-3.07,5.82,;-3.84,7.16,;-3.07,8.49,;-3.84,9.82,;-1.53,8.49,;-.76,9.82,;-.76,7.16,;.78,7.16,;-1.53,5.82,;-5.34,-5.13,;-6.67,-4.36,;-6.67,-5.9,;-7.44,-7.23,;-5.02,-6.64,;-6.05,-7.78,;-5.28,-9.11,;-3.77,-8.79,;-2.63,-9.82,;-3.61,-7.26,;2.7,-5.75,;1.93,-7.09,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description hGLP1R-HEK293 was seeded in 96 well plates at 2.0×104 cells per well and cultured over night. The medium for culturing the cells was changed to 50 &#...				US Patent US10858356 (2020) BindingDB Entry DOI: 10.7270/Q27947SM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM473998 (US10858356, Example 3) Show SMILES CCc1nccc(-c2ccc3n(c(cc3c2)C(=O)N2CCc3nn(c(c3C2)-n2ccn(-c3ccc4c(C)n[nH]c4c3)c2=O)-c2cc(C)c(F)c(C)c2)[C@]2(C[C@@H]2C)c2noc(=O)[nH]2)c1C |r,wU:54.63,wD:52.59,(6.41,-1.75,;4.87,-1.75,;4.1,-3.09,;4.87,-4.42,;4.1,-5.75,;2.56,-5.75,;1.79,-4.42,;.25,-4.42,;-.52,-5.75,;-2.06,-5.75,;-2.83,-4.42,;-4.33,-4.1,;-4.49,-2.57,;-3.09,-1.94,;-2.06,-3.09,;-.52,-3.09,;-5.83,-1.8,;-7.16,-2.57,;-5.83,-.26,;-7.16,.51,;-7.16,2.05,;-5.83,2.82,;-5.51,4.33,;-3.98,4.49,;-3.35,3.08,;-4.49,2.05,;-4.49,.51,;-1.84,2.76,;-1.37,1.3,;.17,1.3,;.65,2.76,;2.06,3.39,;3.3,2.48,;4.71,3.11,;4.87,4.64,;6.12,5.55,;7.58,5.07,;5.64,7.01,;4.1,7.01,;3.62,5.55,;2.22,4.92,;-.6,3.67,;-.6,5.21,;-3.21,5.82,;-3.98,7.16,;-3.21,8.49,;-3.98,9.82,;-1.67,8.49,;-.9,9.82,;-.9,7.16,;.64,7.16,;-1.67,5.82,;-5.48,-5.13,;-6.81,-4.36,;-6.81,-5.9,;-7.58,-7.23,;-5.16,-6.64,;-6.19,-7.78,;-5.42,-9.11,;-3.91,-8.79,;-2.77,-9.82,;-3.75,-7.26,;2.56,-3.09,;1.79,-1.75,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description hGLP1R-HEK293 was seeded in 96 well plates at 2.0×104 cells per well and cultured over night. The medium for culturing the cells was changed to 50 &#...				US Patent US10858356 (2020) BindingDB Entry DOI: 10.7270/Q27947SM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM474001 (US10858356, Example 4) Show SMILES CCc1nccc(c1C)-c1ccc2n(c(cc2c1)C(=O)N1CCc2nn(c(c2C1)-n1ccn(-c2ccc(OC)c(F)c2)c1=O)-c1cc(C)c(F)c(C)c1)[C@]1(C[C@@H]1C)c1noc(=O)[nH]1 |r,wU:55.64,wD:53.60,(6.99,-1.75,;5.45,-1.75,;4.68,-3.09,;5.45,-4.42,;4.68,-5.75,;3.14,-5.75,;2.37,-4.42,;3.14,-3.09,;2.37,-1.75,;.83,-4.42,;.06,-5.75,;-1.48,-5.75,;-2.25,-4.42,;-3.76,-4.1,;-3.92,-2.57,;-2.51,-1.94,;-1.48,-3.09,;.06,-3.09,;-5.26,-1.8,;-6.59,-2.57,;-5.26,-.26,;-6.59,.51,;-6.59,2.05,;-5.26,2.82,;-4.94,4.33,;-3.4,4.49,;-2.78,3.08,;-3.92,2.05,;-3.92,.51,;-1.27,2.76,;-.8,1.3,;.74,1.3,;1.22,2.76,;2.63,3.39,;2.79,4.92,;4.2,5.55,;5.44,4.64,;6.85,5.27,;7.01,6.8,;5.28,3.11,;6.53,2.21,;3.87,2.48,;-.03,3.67,;-.03,5.21,;-2.63,5.82,;-3.4,7.16,;-2.63,8.49,;-3.4,9.82,;-1.09,8.49,;-.32,9.82,;-.32,7.16,;1.22,7.16,;-1.09,5.82,;-4.91,-5.13,;-6.24,-4.36,;-6.24,-5.9,;-7.01,-7.23,;-4.59,-6.64,;-5.62,-7.78,;-4.85,-9.11,;-3.34,-8.79,;-2.19,-9.82,;-3.18,-7.26,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description hGLP1R-HEK293 was seeded in 96 well plates at 2.0×104 cells per well and cultured over night. The medium for culturing the cells was changed to 50 &#...				US Patent US10858356 (2020) BindingDB Entry DOI: 10.7270/Q27947SM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM474004 (US10858356, Example 5) Show SMILES CCc1nccc(-c2ccc3n(c(cc3c2)C(=O)N2CCc3nn(c(c3C2)-n2ccn(-c3ccc4c(C)nn(C)c4c3)c2=O)-c2cc(C)c(F)c(C)c2)[C@]2(C[C@@H]2C)c2noc(=O)[nH]2)c1C |r,wU:55.64,wD:53.60,(6.41,-1.75,;4.87,-1.75,;4.1,-3.09,;4.87,-4.42,;4.1,-5.75,;2.56,-5.75,;1.79,-4.42,;.25,-4.42,;-.52,-5.75,;-2.06,-5.75,;-2.83,-4.42,;-4.33,-4.1,;-4.49,-2.57,;-3.09,-1.94,;-2.06,-3.09,;-.52,-3.09,;-5.83,-1.8,;-7.16,-2.57,;-5.83,-.26,;-7.16,.51,;-7.16,2.05,;-5.83,2.82,;-5.51,4.33,;-3.98,4.49,;-3.35,3.08,;-4.49,2.05,;-4.49,.51,;-1.84,2.76,;-1.37,1.3,;.17,1.3,;.65,2.76,;2.06,3.39,;3.3,2.48,;4.71,3.11,;4.87,4.64,;6.12,5.55,;7.58,5.07,;5.64,7.01,;4.1,7.01,;3.19,8.26,;3.62,5.55,;2.22,4.92,;-.6,3.67,;-.6,5.21,;-3.21,5.82,;-3.98,7.16,;-3.21,8.49,;-3.98,9.82,;-1.67,8.49,;-.9,9.82,;-.9,7.16,;.64,7.16,;-1.67,5.82,;-5.48,-5.13,;-6.81,-4.36,;-6.81,-5.9,;-7.58,-7.23,;-5.16,-6.64,;-6.19,-7.78,;-5.42,-9.11,;-3.91,-8.79,;-2.77,-9.82,;-3.75,-7.26,;2.56,-3.09,;1.79,-1.75,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description hGLP1R-HEK293 was seeded in 96 well plates at 2.0×104 cells per well and cultured over night. The medium for culturing the cells was changed to 50 &#...				US Patent US10858356 (2020) BindingDB Entry DOI: 10.7270/Q27947SM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM474010 (US10858356, Example 6) Show SMILES COc1nccc(c1C)-c1ccc2n(c(cc2c1)C(=O)N1CCc2nn(c(c2C1)-n1ccn(-c2ccc3n(CC(C)(C)O)ncc3c2)c1=O)-c1cc(C)c(F)c(C)c1)[C@]1(C[C@@H]1C)c1noc(=O)[nH]1 |r,wU:60.70,wD:58.66,(3.16,-8.42,;3.93,-7.09,;3.16,-5.75,;3.93,-4.42,;3.16,-3.09,;1.62,-3.09,;.85,-4.42,;1.62,-5.75,;.85,-7.09,;-.69,-4.42,;-1.46,-5.75,;-3,-5.75,;-3.77,-4.42,;-5.27,-4.1,;-5.44,-2.57,;-4.03,-1.94,;-3,-3.09,;-1.46,-3.09,;-6.77,-1.8,;-8.1,-2.57,;-6.77,-.26,;-8.1,.51,;-8.1,2.05,;-6.77,2.82,;-6.45,4.33,;-4.92,4.49,;-4.29,3.08,;-5.44,2.05,;-5.44,.51,;-2.78,2.76,;-2.31,1.3,;-.77,1.3,;-.29,2.76,;1.04,3.53,;1.04,5.07,;2.37,5.84,;3.71,5.07,;5.17,5.55,;5.65,7.01,;7.19,7.01,;7.96,5.68,;8.52,6.24,;7.96,8.35,;6.08,4.3,;5.17,3.06,;3.71,3.53,;2.37,2.76,;-1.54,3.67,;-1.54,5.21,;-4.15,5.82,;-4.92,7.16,;-4.15,8.49,;-4.92,9.82,;-2.61,8.49,;-1.84,9.82,;-1.84,7.16,;-.3,7.16,;-2.61,5.82,;-6.42,-5.13,;-7.75,-4.36,;-7.75,-5.9,;-8.52,-7.23,;-6.1,-6.64,;-7.13,-7.78,;-6.36,-9.11,;-4.85,-8.79,;-3.71,-9.82,;-4.69,-7.26,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description hGLP1R-HEK293 was seeded in 96 well plates at 2.0×104 cells per well and cultured over night. The medium for culturing the cells was changed to 50 &#...				US Patent US10858356 (2020) BindingDB Entry DOI: 10.7270/Q27947SM
					More data for this Ligand-Target Pair

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