Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'ikeura' 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
Substance-P receptor (Homo sapiens (Human))	BDBM50419354 (GR205171A | VOFOPITANT DIHYDROCHLORIDE) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.0251	n/a	n/a	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0120	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
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))	BDBM50357169 (CHEMBL1917866) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCCNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N7O3/c1-18(38)31-13-6-9-25(39)36-14-12-23(22(17-36)19-7-4-3-5-8-19)32-16-20-15-21(10-11-24(20)40-2)37-26(27(28,29)30)33-34-35-37/h3-5,7-8,10-11,15,22-23,32H,6,9,12-14,16-17H2,1-2H3,(H,31,38)/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	0.0250	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357186 (CHEMBL1917853) Show SMILES CCNC(=O)N1CC[C@H](NCc2cc(ccc2OC)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C24H28F3N7O2/c1-3-28-23(35)33-12-11-20(19(15-33)16-7-5-4-6-8-16)29-14-17-13-18(9-10-21(17)36-2)34-22(24(25,26)27)30-31-32-34/h4-10,13,19-20,29H,3,11-12,14-15H2,1-2H3,(H,28,35)/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	0.0390	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357159 (CHEMBL1917856) Show SMILES CCNC(=O)N1CC[C@H](NCc2cc(ccc2OC2CC2)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30F3N7O2/c1-2-30-25(37)35-13-12-22(21(16-35)17-6-4-3-5-7-17)31-15-18-14-19(8-11-23(18)38-20-9-10-20)36-24(26(27,28)29)32-33-34-36/h3-8,11,14,20-22,31H,2,9-10,12-13,15-16H2,1H3,(H,30,37)/t21-,22-/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	0.0440	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357185 (CHEMBL1917852) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C23H25F3N6O2/c1-15(33)31-11-10-20(19(14-31)16-6-4-3-5-7-16)27-13-17-12-18(8-9-21(17)34-2)32-22(23(24,25)26)28-29-30-32/h3-9,12,19-20,27H,10-11,13-14H2,1-2H3/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	0.0490	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357184 (CHEMBL1917851) Show SMILES COC(=O)N1CC[C@H](NCc2cc(ccc2OC)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H25F3N6O3/c1-34-20-9-8-17(32-21(23(24,25)26)28-29-30-32)12-16(20)13-27-19-10-11-31(22(33)35-2)14-18(19)15-6-4-3-5-7-15/h3-9,12,18-19,27H,10-11,13-14H2,1-2H3/t18-,19-/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	0.0540	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357168 (CHEMBL1917865) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N7O3/c1-17(37)30-12-10-24(38)35-13-11-22(21(16-35)18-6-4-3-5-7-18)31-15-19-14-20(8-9-23(19)39-2)36-25(26(27,28)29)32-33-34-36/h3-9,14,21-22,31H,10-13,15-16H2,1-2H3,(H,30,37)/t21-,22-/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	0.0540	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357162 (CHEMBL1917859) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NC1CC1)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N7O2/c1-37-22-10-9-19(35-23(25(26,27)28)31-32-33-35)13-17(22)14-29-21-11-12-34(24(36)30-18-7-8-18)15-20(21)16-5-3-2-4-6-16/h2-6,9-10,13,18,20-21,29H,7-8,11-12,14-15H2,1H3,(H,30,36)/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	0.0560	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357165 (CHEMBL1917862) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)C1CN(C1)C(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C27H30F3N7O3/c1-17(38)36-14-20(15-36)25(39)35-11-10-23(22(16-35)18-6-4-3-5-7-18)31-13-19-12-21(8-9-24(19)40-2)37-26(27(28,29)30)32-33-34-37/h3-9,12,20,22-23,31H,10-11,13-16H2,1-2H3/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	0.0570	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357163 (CHEMBL1917860) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NCC(F)(F)F)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C24H25F6N7O2/c1-39-20-8-7-17(37-21(24(28,29)30)33-34-35-37)11-16(20)12-31-19-9-10-36(22(38)32-14-23(25,26)27)13-18(19)15-5-3-2-4-6-15/h2-8,11,18-19,31H,9-10,12-14H2,1H3,(H,32,38)/t18-,19-/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	0.0570	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357167 (CHEMBL1917864) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N7O3/c1-16(36)29-14-23(37)34-11-10-21(20(15-34)17-6-4-3-5-7-17)30-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)31-32-33-35/h3-9,12,20-21,30H,10-11,13-15H2,1-2H3,(H,29,36)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357167 (CHEMBL1917864) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N7O3/c1-16(36)29-14-23(37)34-11-10-21(20(15-34)17-6-4-3-5-7-17)30-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)31-32-33-35/h3-9,12,20-21,30H,10-11,13-15H2,1-2H3,(H,29,36)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357183 (CHEMBL1917850) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)S(C)(=O)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N6O3S/c1-34-20-9-8-17(31-21(22(23,24)25)27-28-29-31)12-16(20)13-26-19-10-11-30(35(2,32)33)14-18(19)15-6-4-3-5-7-15/h3-9,12,18-19,26H,10-11,13-14H2,1-2H3/t18-,19-/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	0.0750	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357161 (CHEMBL1917858) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NC(C)C)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C25H30F3N7O2/c1-16(2)30-24(36)34-12-11-21(20(15-34)17-7-5-4-6-8-17)29-14-18-13-19(9-10-22(18)37-3)35-23(25(26,27)28)31-32-33-35/h4-10,13,16,20-21,29H,11-12,14-15H2,1-3H3,(H,30,36)/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	0.0810	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357170 (CHEMBL1917867) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CN(C)C(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N7O3/c1-17(37)34(2)16-24(38)35-12-11-22(21(15-35)18-7-5-4-6-8-18)30-14-19-13-20(9-10-23(19)39-3)36-25(26(27,28)29)31-32-33-36/h4-10,13,21-22,30H,11-12,14-16H2,1-3H3/t21-,22-/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	0.0840	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357158 (CHEMBL1917855) Show SMILES CCNC(=O)N1CC[C@H](NCc2cc(ccc2OCC)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C25H30F3N7O2/c1-3-29-24(36)34-13-12-21(20(16-34)17-8-6-5-7-9-17)30-15-18-14-19(10-11-22(18)37-4-2)35-23(25(26,27)28)31-32-33-35/h5-11,14,20-21,30H,3-4,12-13,15-16H2,1-2H3,(H,29,36)/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	0.0860	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM97478 (US8470816, 91) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H29Cl2F6N3O3/c1-16(41)39-8-5-17(6-9-39)27(43)40-10-7-25(22(15-40)18-3-4-23(30)24(31)13-18)38(2)26(42)19-11-20(28(32,33)34)14-21(12-19)29(35,36)37/h3-4,11-14,17,22,25H,5-10,15H2,1-2H3/t22-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0920	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357160 (CHEMBL1917857) Show SMILES CCNC(=O)N1CC[C@H](NCc2cc(cc3CCOc23)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C25H28F3N7O2/c1-2-29-24(36)34-10-8-21(20(15-34)16-6-4-3-5-7-16)30-14-18-13-19(12-17-9-11-37-22(17)18)35-23(25(26,27)28)31-32-33-35/h3-7,12-13,20-21,30H,2,8-11,14-15H2,1H3,(H,29,36)/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	0.0930	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357166 (CHEMBL1917863) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)C1CCN(CC1)C(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C29H34F3N7O3/c1-19(40)37-13-10-21(11-14-37)27(41)38-15-12-25(24(18-38)20-6-4-3-5-7-20)33-17-22-16-23(8-9-26(22)42-2)39-28(29(30,31)32)34-35-36-39/h3-9,16,21,24-25,33H,10-15,17-18H2,1-2H3/t24-,25-/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	0.100	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357164 (CHEMBL1917861) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)N(C)C)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C24H28F3N7O2/c1-32(2)23(35)33-12-11-20(19(15-33)16-7-5-4-6-8-16)28-14-17-13-18(9-10-21(17)36-3)34-22(24(25,26)27)29-30-31-34/h4-10,13,19-20,28H,11-12,14-15H2,1-3H3/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	0.130	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357177 (CHEMBL1917844) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C22H25F3N2O3/c1-15(28)27-11-10-20(19(14-27)16-6-4-3-5-7-16)26-13-17-12-18(30-22(23,24)25)8-9-21(17)29-2/h3-9,12,19-20,26H,10-11,13-14H2,1-2H3/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	0.160	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357178 (CHEMBL1917845) Show SMILES CCNC(=O)N1CC[C@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H28F3N3O3/c1-3-27-22(30)29-12-11-20(19(15-29)16-7-5-4-6-8-16)28-14-17-13-18(32-23(24,25)26)9-10-21(17)31-2/h4-10,13,19-20,28H,3,11-12,14-15H2,1-2H3,(H,27,30)/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	0.170	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					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))	BDBM50357172 (CHEMBL1917869) Show SMILES COc1ccc(cc1CN[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C25H28F3N7O3/c1-16(36)29-14-23(37)34-11-10-21(20(15-34)17-6-4-3-5-7-17)30-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)31-32-33-35/h3-9,12,20-21,30H,10-11,13-15H2,1-2H3,(H,29,36)/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	0.200	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 NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Substance-P receptor (Homo sapiens (Human))	BDBM50030575 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C26H18F7N3O2/c1-35(13-14-10-16(25(28,29)30)12-17(11-14)26(31,32)33)24(38)22-20(15-5-7-18(27)8-6-15)19-4-3-9-34-21(19)23(37)36(22)2/h3-12H,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97485 (US8470816, 458) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H30Cl3N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97489 (US8470816, 632) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H30Cl2F3N3O4/c1-34(26(39)17-2-5-20(6-3-17)28(31,32)33)24-10-13-36(15-21(24)19-4-7-22(29)23(30)14-19)27(40)18-8-11-35(12-9-18)25(38)16-37/h2-7,14,18,21,24,37H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97486 (US8470816, 464) Show SMILES CN([C@@H]1CCN(CC2CCN(CC2)C(C)=O)C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H32Cl3N3O2/c1-18(34)33-13-9-19(10-14-33)16-32-12-11-26(23(17-32)21-5-8-24(29)25(30)15-21)31(2)27(35)20-3-6-22(28)7-4-20/h3-8,15,19,23,26H,9-14,16-17H2,1-2H3/t23-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97481 (US8470816, 265) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C28H30Cl2F3N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)20-5-8-23(29)24(30)15-20)34(2)26(38)18-3-6-21(7-4-18)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM97490 (US8470816, 633) Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C27H30BrCl2N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.5	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.				US Patent US8470816 (2013) BindingDB Entry DOI: 10.7270/Q2NZ8688
					More data for this Ligand-Target Pair

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