Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'hirata' and Initial = 'y'   

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
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461646 (CHEBI:582124 | Myriocin) Show SMILES CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[C@H](O)[C@@](N)(CO)C(O)=O |r| Show InChI InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461644 (CHEMBL4228416) Show SMILES COc1ccc(cc1OC)C(=O)N1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241875 (CHEMBL4091527) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cn[nH]c1 Show InChI InChI=1S/C22H23N5O2/c28-22(6-3-18-13-23-8-7-21(18)19-14-24-25-15-19)26-20-4-1-17(2-5-20)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,24,25)(H,26,28)/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461649 (CHEMBL4225519) Show SMILES COc1cc(cnc1OC)C(=O)N1CC[C@H](NC(=O)c2ccccc2OC(F)(F)F)c2c1cnn2C(C)C |r| Show InChI InChI=1S/C25H26F3N5O5/c1-14(2)33-21-17(31-22(34)16-7-5-6-8-19(16)38-25(26,27)28)9-10-32(18(21)13-30-33)24(35)15-11-20(36-3)23(37-4)29-12-15/h5-8,11-14,17H,9-10H2,1-4H3,(H,31,34)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461645 (CHEMBL4228472) Show SMILES Cn1nc(cc1C(=O)N[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(Cl)c2nccnc2c1)C(F)(F)F |r| Show InChI InChI=1S/C26H22ClF3N6O2/c1-35-21(13-22(34-35)26(28,29)30)24(37)33-19-7-10-36(14-17(19)15-5-3-2-4-6-15)25(38)16-11-18(27)23-20(12-16)31-8-9-32-23/h2-6,8-9,11-13,17,19H,7,10,14H2,1H3,(H,33,37)/t17-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461643 (CHEMBL4225764) Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(NC(=O)c2ccccc2Cl)C(C1)c1ccccc1 Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461647 (CHEMBL4225462) Show SMILES COc1cc(cnc1OC)C(=O)N1CCC(NC(=O)c2ccccc2OC(F)(F)F)c2c1cnn2C(C)C Show InChI InChI=1S/C25H26F3N5O5/c1-14(2)33-21-17(31-22(34)16-7-5-6-8-19(16)38-25(26,27)28)9-10-32(18(21)13-30-33)24(35)15-11-20(36-3)23(37-4)29-12-15/h5-8,11-14,17H,9-10H2,1-4H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Mus musculus)	BDBM50273899 (CHEMBL456823 | tert-Butyl-4-[1-(2-fuluoropyridine-...) Show SMILES Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15| Show InChI InChI=1S/C18H22FN5O2/c1-12-15(21-22-24(12)16-14(19)6-5-9-20-16)13-7-10-23(11-8-13)17(25)26-18(2,3)4/h5-7,9H,8,10-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241879 (CHEMBL4082587) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1ccc2[nH]cnc2c1 Show InChI InChI=1S/C26H25N5O2/c32-26(30-22-5-1-19(2-6-22)17-31-11-13-33-14-12-31)8-4-21-16-27-10-9-23(21)20-3-7-24-25(15-20)29-18-28-24/h1-10,15-16,18H,11-14,17H2,(H,28,29)(H,30,32)/b8-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301542 (4-fluoro-N-methyl-N-(4-(6-(methylamino)pyrimidin-4...) Show SMILES CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 5464-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.097 BindingDB Entry DOI: 10.7270/Q2W66KTT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301541 (CHEMBL577729 | N-(4-(6-aminopyrimidin-4-yl)thiazol...) Show SMILES CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cc(N)ncn1 Show InChI InChI=1S/C15H12FN5OS/c1-21(14(22)9-2-4-10(16)5-3-9)15-20-12(7-23-15)11-6-13(17)19-8-18-11/h2-8H,1H3,(H2,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 5464-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.097 BindingDB Entry DOI: 10.7270/Q2W66KTT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241862 (CHEMBL4059523) Show SMILES FC1(F)CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)cc2)C1 Show InChI InChI=1S/C24H23F2N5O/c25-24(26)15-30(16-24)13-17-1-4-20(5-2-17)29-23(32)8-3-18-11-27-10-9-22(18)19-12-28-31(14-19)21-6-7-21/h1-5,8-12,14,21H,6-7,13,15-16H2,(H,29,32)/b8-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241892 (CHEMBL4072106) Show SMILES Cn1cnc2ccc(cc12)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C27H27N5O2/c1-31-19-29-25-8-4-21(16-26(25)31)24-10-11-28-17-22(24)5-9-27(33)30-23-6-2-20(3-7-23)18-32-12-14-34-15-13-32/h2-11,16-17,19H,12-15,18H2,1H3,(H,30,33)/b9-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273898 (CHEMBL452618 | tert-Butyl-4-[1-(2-fuluoropyridine-...) Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ncccc1F |c:10| Show InChI InChI=1S/C17H20FN5O2/c1-17(2,3)25-16(24)22-9-6-12(7-10-22)14-11-23(21-20-14)15-13(18)5-4-8-19-15/h4-6,8,11H,7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301816 (2-cyclopropyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,...) Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(Cc2c1)C1CC1 Show InChI InChI=1S/C20H18N4O/c1-12-19(22-23-24(12)16-3-2-8-21-11-16)14-6-7-17-15(9-14)10-18(20(17)25)13-4-5-13/h2-3,6-9,11,13,18H,4-5,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Mus musculus)	BDBM50273942 (4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10| Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241864 (CHEMBL4069244) Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc2CCN(CC(F)(F)F)Cc2c1 Show InChI InChI=1S/C23H22F3N5O/c1-30-13-19(12-28-30)21-6-8-27-11-17(21)3-5-22(32)29-20-4-2-16-7-9-31(14-18(16)10-20)15-23(24,25)26/h2-6,8,10-13H,7,9,14-15H2,1H3,(H,29,32)/b5-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Mus musculus)	BDBM50273941 (CHEMBL456196 | iso-Propyl-4-[1-(2-fuluoropyridine-...) Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9| Show InChI InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301821 (2-ethyl-5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,...) Show SMILES CCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F Show InChI InChI=1S/C18H16FN5O/c1-3-23-10-13-9-12(6-7-14(13)18(23)25)16-11(2)24(22-21-16)15-5-4-8-20-17(15)19/h4-9H,3,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301824 (2-cyclopropyl-5-(1-(2-fluoropyridin-3-yl)-5-methyl...) Show SMILES Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1 Show InChI InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50301804 (5-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...) Show SMILES CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F Show InChI InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIP...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301822 (5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301543 (CHEMBL566374 | N-(4-(6-(ethylamino)pyrimidin-4-yl)...) Show SMILES CCNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H16FN5OS/c1-3-19-15-8-13(20-10-21-15)14-9-25-17(22-14)23(2)16(24)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 5464-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.097 BindingDB Entry DOI: 10.7270/Q2W66KTT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241882 (CHEMBL4101552) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C29H29N5O2/c35-29(32-27-9-6-24(7-10-27)20-33-14-16-36-17-15-33)11-8-25-18-30-13-12-28(25)26-19-31-34(22-26)21-23-4-2-1-3-5-23/h1-13,18-19,22H,14-17,20-21H2,(H,32,35)/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241863 (CHEMBL4060561) Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc2CN(CC(F)(F)F)CCc2c1 Show InChI InChI=1S/C23H22F3N5O/c1-30-13-19(12-28-30)21-6-8-27-11-17(21)3-5-22(32)29-20-4-2-18-14-31(15-23(24,25)26)9-7-16(18)10-20/h2-6,8,10-13H,7,9,14-15H2,1H3,(H,29,32)/b5-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301818 (6-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl...) Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2ncccc2c1 Show InChI InChI=1S/C17H13N5/c1-12-17(20-21-22(12)15-5-3-8-18-11-15)14-6-7-16-13(10-14)4-2-9-19-16/h2-11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461639 (CHEMBL4229253) Show SMILES COc1ccc(cc1OC)C(=O)N1CC[C@@H](NC(=O)c2ccccc2Cl)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461641 (CHEMBL4225192) Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(NC(=O)c2ccccc2Cl)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H22Cl2N2O4/c1-32-22-10-7-15(13-23(22)33-2)25(31)29-12-11-20(18-9-8-16(26)14-21(18)29)28-24(30)17-5-3-4-6-19(17)27/h3-10,13-14,20H,11-12H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301520 (4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)th...) Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 5464-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.097 BindingDB Entry DOI: 10.7270/Q2W66KTT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C (Homo sapiens (Human))	BDBM50241896 (CHEMBL4081088) Show SMILES Cn1cc(cn1)-c1c(F)cncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C23H24FN5O2/c1-28-16-19(13-26-28)23-18(12-25-14-21(23)24)4-7-22(30)27-20-5-2-17(3-6-20)15-29-8-10-31-11-9-29/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,30)/b7-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301823 (5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F Show InChI InChI=1S/C19H18FN5O/c1-11(2)24-10-14-9-13(6-7-15(14)19(24)26)17-12(3)25(23-22-17)16-5-4-8-21-18(16)20/h4-9,11H,10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273942 (4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10| Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...				Bioorg Med Chem Lett 19: 5310-3 (2009) Article DOI: 10.1016/j.bmcl.2009.07.145 BindingDB Entry DOI: 10.7270/Q26H4HGN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273942 (4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...) Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10| Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50301532 (4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)...) Show SMILES CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccn1 Show InChI InChI=1S/C16H12FN3OS/c1-20(15(21)11-5-7-12(17)8-6-11)16-19-14(10-22-16)13-4-2-3-9-18-13/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 5464-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.097 BindingDB Entry DOI: 10.7270/Q2W66KTT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Kansai University Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 22: 1926-30 (2012) Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241890 (CHEMBL4098004) Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCC(F)(F)C2)cc1 Show InChI InChI=1S/C23H23F2N5O/c1-29-15-19(13-27-29)21-8-10-26-12-18(21)4-7-22(31)28-20-5-2-17(3-6-20)14-30-11-9-23(24,25)16-30/h2-8,10,12-13,15H,9,11,14,16H2,1H3,(H,28,31)/b7-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273829 (CHEMBL461673 | tert-Butyl-4-[1-(2-fluorophenyl)-1H...) Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10| Show InChI InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-10-8-13(9-11-22)15-12-23(21-20-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241858 (CHEMBL4070459) Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2C3CCC2COC3)cc1 Show InChI InChI=1S/C25H27N5O2/c1-29-15-20(13-27-29)24-10-11-26-12-19(24)4-9-25(31)28-21-5-2-18(3-6-21)14-30-22-7-8-23(30)17-32-16-22/h2-6,9-13,15,22-23H,7-8,14,16-17H2,1H3,(H,28,31)/b9-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241881 (CHEMBL4063489) Show SMILES FC(F)n1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C23H23F2N5O2/c24-23(25)30-16-19(14-27-30)21-7-8-26-13-18(21)3-6-22(31)28-20-4-1-17(2-5-20)15-29-9-11-32-12-10-29/h1-8,13-14,16,23H,9-12,15H2,(H,28,31)/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241868 (CHEMBL4092865) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1 Show InChI InChI=1S/C25H27N5O2/c31-25(28-22-4-1-19(2-5-22)17-29-11-13-32-14-12-29)8-3-20-15-26-10-9-24(20)21-16-27-30(18-21)23-6-7-23/h1-5,8-10,15-16,18,23H,6-7,11-14,17H2,(H,28,31)/b8-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241866 (CHEMBL4063709) Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C23H25N5O2/c1-27-17-20(15-25-27)22-8-9-24-14-19(22)4-7-23(29)26-21-5-2-18(3-6-21)16-28-10-12-30-13-11-28/h2-9,14-15,17H,10-13,16H2,1H3,(H,26,29)/b7-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241885 (CHEMBL4060759) Show SMILES Fc1cncc(\C=C\C(=O)Nc2ccc(CN3CCOCC3)cc2)c1-c1cnn(c1)C1CC1 Show InChI InChI=1S/C25H26FN5O2/c26-23-15-27-13-19(25(23)20-14-28-31(17-20)22-6-7-22)3-8-24(32)29-21-4-1-18(2-5-21)16-30-9-11-33-12-10-30/h1-5,8,13-15,17,22H,6-7,9-12,16H2,(H,29,32)/b8-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241857 (CHEMBL4091382) Show SMILES CC1CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(C)c3)cc2)CCO1 Show InChI InChI=1S/C24H27N5O2/c1-18-15-29(11-12-31-18)16-19-3-6-22(7-4-19)27-24(30)8-5-20-13-25-10-9-23(20)21-14-26-28(2)17-21/h3-10,13-14,17-18H,11-12,15-16H2,1-2H3,(H,27,30)/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241860 (CHEMBL4079977) Show SMILES O=C(Nc1ccc(CN2CC3CC(C2)O3)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1 Show InChI InChI=1S/C26H27N5O2/c32-26(29-21-4-1-18(2-5-21)14-30-16-23-11-24(17-30)33-23)8-3-19-12-27-10-9-25(19)20-13-28-31(15-20)22-6-7-22/h1-5,8-10,12-13,15,22-24H,6-7,11,14,16-17H2,(H,29,32)/b8-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273899 (CHEMBL456823 | tert-Butyl-4-[1-(2-fuluoropyridine-...) Show SMILES Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15| Show InChI InChI=1S/C18H22FN5O2/c1-12-15(21-22-24(12)16-14(19)6-5-9-20-16)13-7-10-23(11-8-13)17(25)26-18(2,3)4/h5-7,9H,8,10-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241891 (CHEMBL4082444) Show SMILES FC(F)(F)CN1CCc2cc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)ccc2C1 Show InChI InChI=1S/C25H24F3N5O/c26-25(27,28)16-32-10-8-17-11-21(3-1-19(17)14-32)31-24(34)6-2-18-12-29-9-7-23(18)20-13-30-33(15-20)22-4-5-22/h1-3,6-7,9,11-13,15,22H,4-5,8,10,14,16H2,(H,31,34)/b6-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273941 (CHEMBL456196 | iso-Propyl-4-[1-(2-fuluoropyridine-...) Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9| Show InChI InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50241868 (CHEMBL4092865) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1 Show InChI InChI=1S/C25H27N5O2/c31-25(28-22-4-1-19(2-5-22)17-29-11-13-32-14-12-29)8-3-20-15-26-10-9-24(20)21-16-27-30(18-21)23-6-7-23/h1-5,8-10,15-16,18,23H,6-7,11-14,17H2,(H,28,31)/b8-3+	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to GST-tagged CDK19/CycC (unknown origin) after 60 min by TR-FRET assay				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Serine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM50461638 (CHEMBL4226297) Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(NC(=O)c2ccccc2Cl)c2c1cnn2C Show InChI InChI=1S/C23H23ClN4O4/c1-27-21-17(26-22(29)15-6-4-5-7-16(15)24)10-11-28(18(21)13-25-27)23(30)14-8-9-19(31-2)20(12-14)32-3/h4-9,12-13,17H,10-11H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...				Bioorg Med Chem 26: 2452-2465 (2018) Article DOI: 10.1016/j.bmc.2018.04.008 BindingDB Entry DOI: 10.7270/Q2RF5XNH
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50241871 (CHEMBL4087219) Show SMILES COc1ncc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C23H24N4O3S/c1-29-23-25-15-21(31-23)20-8-9-24-14-18(20)4-7-22(28)26-19-5-2-17(3-6-19)16-27-10-12-30-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 298 total )  |  Next  |  Last  >>

Jump to: