Compile Data Set for Download or QSAR

Found 3607 hits with Last Name = 'morimoto' and Initial = 's'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50364189 (CHEMBL1951813) Show SMILES C[C@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20-,21+/m0/s1	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	0.0170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364190 (CHEMBL1951810) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1	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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364190 (CHEMBL1951810) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1	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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364202 (CHEMBL1951626) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccccc1C)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-6-4-5-7-25(19)27-18-40(28(42)22-8-11-39(12-9-22)20(2)41)13-10-26(27)29(43)38(3)17-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37/h4-7,14-16,22,26-27H,8-13,17-18H2,1-3H3/t26-,27+/m0/s1	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	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364195 (CHEMBL1951633) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(N)=O |r| Show InChI InChI=1S/C24H24F7N3O2/c1-13-7-17(25)3-4-18(13)20-12-34(22(32)36)6-5-19(20)21(35)33(2)11-14-8-15(23(26,27)28)10-16(9-14)24(29,30)31/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,32,36)/t19-,20+/m0/s1	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	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364197 (CHEMBL1951631) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)CNC(C)=O |r| Show InChI InChI=1S/C27H28F7N3O3/c1-15-8-20(28)4-5-21(15)23-14-37(24(39)12-35-16(2)38)7-6-22(23)25(40)36(3)13-17-9-18(26(29,30)31)11-19(10-17)27(32,33)34/h4-5,8-11,22-23H,6-7,12-14H2,1-3H3,(H,35,38)/t22-,23+/m0/s1	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	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364192 (CHEMBL1951811) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(=O)NO |r| Show InChI InChI=1S/C25H24F7N3O4/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(36)33-39)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20,39H,5-6,11-12H2,1-2H3,(H,33,36)/t19-,20+/m0/s1	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	0.0460	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364198 (CHEMBL1951630) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H34F7N3O3/c1-18-12-24(32)4-5-25(18)27-17-41(28(43)21-6-9-40(10-7-21)19(2)42)11-8-26(27)29(44)39(3)16-20-13-22(30(33,34)35)15-23(14-20)31(36,37)38/h4-5,12-15,21,26-27H,6-11,16-17H2,1-3H3/t26-,27+/m0/s1	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	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364196 (CHEMBL1951632) Show SMILES CNC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O2/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-2)7-6-20(21)22(36)34(3)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/m0/s1	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	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364199 (CHEMBL1951629) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C30H32F7N3O3/c1-18(41)39-10-7-21(8-11-39)27(42)40-12-9-25(26(17-40)20-3-5-24(31)6-4-20)28(43)38(2)16-19-13-22(29(32,33)34)15-23(14-19)30(35,36)37/h3-6,13-15,21,25-26H,7-12,16-17H2,1-2H3/t25-,26+/m0/s1	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	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364201 (CHEMBL1951627) Show SMILES CCc1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C32H37F6N3O3/c1-4-22-7-5-6-8-26(22)28-19-41(29(43)23-9-12-40(13-10-23)20(2)42)14-11-27(28)30(44)39(3)18-21-15-24(31(33,34)35)17-25(16-21)32(36,37)38/h5-8,15-17,23,27-28H,4,9-14,18-19H2,1-3H3/t27-,28+/m0/s1	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	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364194 (CHEMBL1951634) Show SMILES CONC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O3/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-38-3)7-6-20(21)22(36)34(2)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/m0/s1	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	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364207 (CHEMBL1951621) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C30H33F6N3O3/c1-19(40)38-11-8-22(9-12-38)27(41)39-13-10-25(26(18-39)21-6-4-3-5-7-21)28(42)37(2)17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h3-7,14-16,22,25-26H,8-13,17-18H2,1-2H3/t25-,26+/m1/s1	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	0.0980	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364193 (CHEMBL1951635) Show SMILES CNC(=O)C(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-14-8-18(27)4-5-19(14)21-13-36(24(39)22(37)34-2)7-6-20(21)23(38)35(3)12-15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,34,37)/t20-,21+/m0/s1	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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364203 (CHEMBL1951625) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1cccc(C)c1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-5-4-6-23(13-19)27-18-40(28(42)22-7-10-39(11-8-22)20(2)41)12-9-26(27)29(43)38(3)17-21-14-24(30(32,33)34)16-25(15-21)31(35,36)37/h4-6,13-16,22,26-27H,7-12,17-18H2,1-3H3/t26-,27+/m0/s1	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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364205 (CHEMBL1951623) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1=C(CN(CC1)C(=O)C1CCN(CC1)C(C)=O)c1ccccc1 |t:20| Show InChI InChI=1S/C30H31F6N3O3/c1-19(40)38-11-8-22(9-12-38)27(41)39-13-10-25(26(18-39)21-6-4-3-5-7-21)28(42)37(2)17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h3-7,14-16,22H,8-13,17-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364204 (CHEMBL1951624) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(C)cc1)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C31H35F6N3O3/c1-19-4-6-22(7-5-19)27-18-40(28(42)23-8-11-39(12-9-23)20(2)41)13-10-26(27)29(43)38(3)17-21-14-24(30(32,33)34)16-25(15-21)31(35,36)37/h4-7,14-16,23,26-27H,8-13,17-18H2,1-3H3/t26-,27+/m0/s1	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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364188 (CHEMBL1951814) Show SMILES C[C@@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20+,21-/m1/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364200 (CHEMBL1951628) Show SMILES CC(C)c1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C33H39F6N3O3/c1-20(2)26-7-5-6-8-27(26)29-19-42(30(44)23-9-12-41(13-10-23)21(3)43)14-11-28(29)31(45)40(4)18-22-15-24(32(34,35)36)17-25(16-22)33(37,38)39/h5-8,15-17,20,23,28-29H,9-14,18-19H2,1-4H3/t28-,29+/m0/s1	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339725 ((5R)-N-[1-Ethyl-1-(4-ethylphenyl)propyl]-2,7,7-tri...) Show SMILES CCc1ccc(cc1)C(CC)(CC)NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090510 (CHEMBL3581716) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090666 (CHEMBL3581717) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H22F3N3O3S/c1-15(31)28-23-14-20(34(32,33)29-22-7-6-19(26)13-21(22)27)12-17-9-11-30(24(17)23)10-8-16-2-4-18(25)5-3-16/h2-7,12-14,29H,8-11H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339727 ((5R)-N-[1-(3-Chloro-4-methoxyphenyl)-1-ethylpropyl...) Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)c(Cl)c1 |r| Show InChI InChI=1S/C28H35ClN4O2/c1-7-28(8-2,20-14-15-23(35-6)21(29)16-20)31-26(34)24-18(3)32-33-25(24)30-22(17-27(33,4)5)19-12-10-9-11-13-19/h9-16,22,30H,7-8,17H2,1-6H3,(H,31,34)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339726 ((5R)-N-[1-Ethyl-1-(4-isopropylphenyl)propyl]-2,7,7...) Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C30H40N4O/c1-8-30(9-2,24-17-15-22(16-18-24)20(3)4)32-28(35)26-21(5)33-34-27(26)31-25(19-29(34,6)7)23-13-11-10-12-14-23/h10-18,20,25,31H,8-9,19H2,1-7H3,(H,32,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339728 ((5R)-N-[1-Ethyl-1-(4-methoxyphenyl)propyl]-2,7,7-t...) Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H36N4O2/c1-7-28(8-2,21-14-16-22(34-6)17-15-21)30-26(33)24-19(3)31-32-25(24)29-23(18-27(32,4)5)20-12-10-9-11-13-20/h9-17,23,29H,7-8,18H2,1-6H3,(H,30,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50268236 (CHEMBL4101718) Show SMILES CC(C)Oc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1 |c:26| Show InChI InChI=1S/C31H38FN3O4/c1-20(2)38-27-15-26(22-6-8-24(32)9-7-22)25(21-4-5-21)14-23(27)17-34-18-31(19-34)16-28(33-39-31)35-12-10-30(3,11-13-35)29(36)37/h6-9,14-15,20-21H,4-5,10-13,16-19H2,1-3H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Research Division, Takeda Pharmaceutical Co., Ltd., 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: takeshi.yamasaki@takeda.com. Curated by ChEMBL					Assay Description Antagonist activity at human SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incub...				Bioorg Med Chem 25: 4153-4162 (2017) Article DOI: 10.1016/j.bmc.2017.06.003 BindingDB Entry DOI: 10.7270/Q28G8P5G
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090665 (CHEMBL3581718) Show SMILES CC(=O)Nc1cc(cc2ccn(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H21F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,10,12-15,28H,9,11H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339729 ((5R)-N-{1-[4-(Benzyloxy)phenyl]-1-ethylpropyl}-2,7...) Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H40N4O2/c1-6-34(7-2,27-18-20-28(21-19-27)40-23-25-14-10-8-11-15-25)36-32(39)30-24(3)37-38-31(30)35-29(22-33(38,4)5)26-16-12-9-13-17-26/h8-21,29,35H,6-7,22-23H2,1-5H3,(H,36,39)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090687 (CHEMBL3581715) Show SMILES COc1ccc(NS(=O)(=O)c2cc3CCN(CCc4ccccc4)c3c(NC(C)=O)c2)cc1 Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090648 (CHEMBL3581732) Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCCNC2=O)c(F)c1 Show InChI InChI=1S/C26H24F2N4O5S/c27-19-7-8-22(21(28)14-19)30-38(35,36)20-13-18-9-12-32(26(34)37-16-17-5-2-1-3-6-17)24(18)23(15-20)31-11-4-10-29-25(31)33/h1-3,5-8,13-15,30H,4,9-12,16H2,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339341 ((5R)-(-)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-7,7-...) Show SMILES CCC(CC)(NC(=O)c1cnn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C27H34N4O/c1-6-27(7-2,21-15-13-19(3)14-16-21)30-25(32)22-18-28-31-24(22)29-23(17-26(31,4)5)20-11-9-8-10-12-20/h8-16,18,23,29H,6-7,17H2,1-5H3,(H,30,32)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339730 ((5R)-N-(1-Ethyl-1-phenylpropyl)-2,7,7-trimethyl-5-...) Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O/c1-6-27(7-2,21-16-12-9-13-17-21)29-25(32)23-19(3)30-31-24(23)28-22(18-26(31,4)5)20-14-10-8-11-15-20/h8-17,22,28H,6-7,18H2,1-5H3,(H,29,32)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339731 ((5R)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-2,7,7-tr...) Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C28H36N4O/c1-7-28(8-2,22-16-14-19(3)15-17-22)30-26(33)24-20(4)31-32-25(24)29-23(18-27(32,5)6)21-12-10-9-11-13-21/h9-17,23,29H,7-8,18H2,1-6H3,(H,30,33)/t23-/m1/s1	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
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090514 (CHEMBL3581736) Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)Nc4ccc(cc4)C(F)(F)F)c3c(c2)N2CCNC2=O)c(F)c1 Show InChI InChI=1S/C25H20F5N5O4S/c26-16-3-6-20(19(27)12-16)33-40(38,39)18-11-14-7-9-35(22(14)21(13-18)34-10-8-31-23(34)36)24(37)32-17-4-1-15(2-5-17)25(28,29)30/h1-6,11-13,33H,7-10H2,(H,31,36)(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364210 (CHEMBL1951618) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C24H24F6N2O2/c1-15(33)32-9-8-20(21(14-32)17-6-4-3-5-7-17)22(34)31(2)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h3-7,10-12,20-21H,8-9,13-14H2,1-2H3/t20-,21+/m1/s1	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364212 (CHEMBL1951616) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCNC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H22F6N2O/c1-30(13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28)20(31)18-7-8-29-12-19(18)15-5-3-2-4-6-15/h2-6,9-11,18-19,29H,7-8,12-13H2,1H3/t18-,19+/m1/s1	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50268214 (CHEMBL4070852) Show SMILES CCOc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1 |c:25| Show InChI InChI=1S/C30H36FN3O4/c1-3-37-26-15-25(21-6-8-23(31)9-7-21)24(20-4-5-20)14-22(26)17-33-18-30(19-33)16-27(32-38-30)34-12-10-29(2,11-13-34)28(35)36/h6-9,14-15,20H,3-5,10-13,16-19H2,1-2H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Research Division, Takeda Pharmaceutical Co., Ltd., 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: takeshi.yamasaki@takeda.com. Curated by ChEMBL					Assay Description Antagonist activity at human SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incub...				Bioorg Med Chem 25: 4153-4162 (2017) Article DOI: 10.1016/j.bmc.2017.06.003 BindingDB Entry DOI: 10.7270/Q28G8P5G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364206 (CHEMBL1951622) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CC[C@H]([C@@H](C1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H31F6N3O3/c1-18(39)37-10-7-21(8-11-37)27(41)38-12-9-24(25(17-38)20-5-3-2-4-6-20)26(40)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,21,24-25H,7-12,16-17H2,1H3,(H,36,40)/t24-,25+/m1/s1	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339732 ((5R)-N-[1-(4-Ethoxyphenyl)-1-ethylpropyl]-2,7,7-tr...) Show SMILES CCOc1ccc(cc1)C(CC)(CC)NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O2/c1-7-29(8-2,22-15-17-23(18-16-22)35-9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)21-13-11-10-12-14-21/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090617 (CHEMBL3581734) Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)Nc4ccc(cc4)C(F)(F)F)c3c(c2)N2CCCC2=O)c(F)c1 Show InChI InChI=1S/C26H21F5N4O4S/c27-17-5-8-21(20(28)13-17)33-40(38,39)19-12-15-9-11-35(24(15)22(14-19)34-10-1-2-23(34)36)25(37)32-18-6-3-16(4-7-18)26(29,30)31/h3-8,12-14,33H,1-2,9-11H2,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364209 (CHEMBL1951619) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@H]1c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C24H24F6N2O2/c1-15(33)32-9-8-20(21(14-32)17-6-4-3-5-7-17)22(34)31(2)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h3-7,10-12,20-21H,8-9,13-14H2,1-2H3/t20-,21-/m0/s1	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090650 (CHEMBL3581730) Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCNC2=O)c(F)c1 Show InChI InChI=1S/C25H22F2N4O5S/c26-18-6-7-21(20(27)13-18)29-37(34,35)19-12-17-8-10-31(25(33)36-15-16-4-2-1-3-5-16)23(17)22(14-19)30-11-9-28-24(30)32/h1-7,12-14,29H,8-11,15H2,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090616 (CHEMBL3581735) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCc3cc(cc(N4CCCC4=O)c23)S(=O)(=O)Nc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C29H30F2N4O4S/c1-29(2,3)19-6-9-21(10-7-19)32-28(37)35-14-12-18-15-22(17-25(27(18)35)34-13-4-5-26(34)36)40(38,39)33-24-11-8-20(30)16-23(24)31/h6-11,15-17,33H,4-5,12-14H2,1-3H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090656 (CHEMBL3581724) Show SMILES CC(=O)Nc1cc(cc2CCN(CCCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15?,20-/m0/s1	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
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50268237 (CHEMBL4060964) Show SMILES COc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1 |c:24| Show InChI InChI=1S/C29H34FN3O4/c1-28(27(34)35)9-11-33(12-10-28)26-15-29(37-31-26)17-32(18-29)16-21-13-23(19-3-4-19)24(14-25(21)36-2)20-5-7-22(30)8-6-20/h5-8,13-14,19H,3-4,9-12,15-18H2,1-2H3,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Research Division, Takeda Pharmaceutical Co., Ltd., 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: takeshi.yamasaki@takeda.com. Curated by ChEMBL					Assay Description Antagonist activity at human SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incub...				Bioorg Med Chem 25: 4153-4162 (2017) Article DOI: 10.1016/j.bmc.2017.06.003 BindingDB Entry DOI: 10.7270/Q28G8P5G
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Mus musculus)	BDBM50268236 (CHEMBL4101718) Show SMILES CC(C)Oc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1 |c:26| Show InChI InChI=1S/C31H38FN3O4/c1-20(2)38-27-15-26(22-6-8-24(32)9-7-22)25(21-4-5-21)14-23(27)17-34-18-31(19-34)16-28(33-39-31)35-12-10-30(3,11-13-35)29(36)37/h6-9,14-15,20-21H,4-5,10-13,16-19H2,1-3H3,(H,36,37)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Research Division, Takeda Pharmaceutical Co., Ltd., 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: takeshi.yamasaki@takeda.com. Curated by ChEMBL					Assay Description Antagonist activity at mouse SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incub...				Bioorg Med Chem 25: 4153-4162 (2017) Article DOI: 10.1016/j.bmc.2017.06.003 BindingDB Entry DOI: 10.7270/Q28G8P5G
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339731 ((5R)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-2,7,7-tr...) Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C28H36N4O/c1-7-28(8-2,22-16-14-19(3)15-17-22)30-26(33)24-20(4)31-32-25(24)29-23(18-27(32,5)6)21-12-10-9-11-13-21/h9-17,23,29H,7-8,18H2,1-6H3,(H,30,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50339725 ((5R)-N-[1-Ethyl-1-(4-ethylphenyl)propyl]-2,7,7-tri...) Show SMILES CCc1ccc(cc1)C(CC)(CC)NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting				Bioorg Med Chem 19: 1881-94 (2011) Article DOI: 10.1016/j.bmc.2011.02.001 BindingDB Entry DOI: 10.7270/Q2MW2HFZ
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Mus musculus)	BDBM50268214 (CHEMBL4070852) Show SMILES CCOc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1 |c:25| Show InChI InChI=1S/C30H36FN3O4/c1-3-37-26-15-25(21-6-8-23(31)9-7-21)24(20-4-5-20)14-22(26)17-33-18-30(19-33)16-27(32-38-30)34-12-10-29(2,11-13-34)28(35)36/h6-9,14-15,20H,3-5,10-13,16-19H2,1-2H3,(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Research Division, Takeda Pharmaceutical Co., Ltd., 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: takeshi.yamasaki@takeda.com. Curated by ChEMBL					Assay Description Antagonist activity at mouse SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incub...				Bioorg Med Chem 25: 4153-4162 (2017) Article DOI: 10.1016/j.bmc.2017.06.003 BindingDB Entry DOI: 10.7270/Q28G8P5G
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50460165 (CHEMBL4225254) Show SMILES CCN(CC)c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H21Cl3N4/c1-3-25(4-2)17-9-7-14(22)18-19(17)27-11-5-10-26(20(27)24-18)16-8-6-13(21)12-15(16)23/h6-9,12H,3-5,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of human CRF-stimulated cAMP accumulation after 4 hrs by luc...				Bioorg Med Chem 26: 2229-2250 (2018) Article DOI: 10.1016/j.bmc.2018.01.020 BindingDB Entry DOI: 10.7270/Q2474DG1
					More data for this Ligand-Target Pair

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