Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'doi' and Initial = 't'   

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))	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))	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-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).				J Med Chem 41: 4232-9 (1998) Article DOI: 10.1021/jm980042m BindingDB Entry DOI: 10.7270/Q280538T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030573 (7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyri...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C26H19F6N3O2/c1-34(14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32)24(37)22-20(16-7-4-3-5-8-16)19-9-6-10-33-21(19)23(36)35(22)2/h3-13H,14H2,1-2H3	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	0.25	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-P receptor (Homo sapiens (Human))	BDBM50081415 ((S)-7-(3,5-Bis-trifluoromethyl-benzyl)-9-methyl-5-...) Show SMILES C[C@H]1CN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c2c(-c3ccc(C)cc3)c3cccnc3c(=O)n2C1 Show InChI InChI=1S/C29H23F6N3O2/c1-16-5-7-19(8-6-16)23-22-4-3-9-36-24(22)26(39)38-14-17(2)13-37(27(40)25(23)38)15-18-10-20(28(30,31)32)12-21(11-18)29(33,34)35/h3-12,17H,13-15H2,1-2H3/t17-/m0/s1	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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.340	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-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.340	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-P receptor (Homo sapiens (Human))	BDBM50081413 ((R)-7-(3,5-Bis-trifluoromethyl-benzyl)-5-p-tolyl-8...) Show SMILES Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCCCn2c(=O)c2ncccc12 Show InChI InChI=1S/C29H23F6N3O2/c1-17-6-8-19(9-7-17)23-22-5-4-10-36-24(22)26(39)38-12-3-2-11-37(27(40)25(23)38)16-18-13-20(28(30,31)32)15-21(14-18)29(33,34)35/h4-10,13-15H,2-3,11-12,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030576 (4-(4-Fluoro-phenyl)-2-methyl-1-oxo-1,2-dihydro-iso...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C27H19F7N2O2/c1-35(14-15-11-17(26(29,30)31)13-18(12-15)27(32,33)34)25(38)23-22(16-7-9-19(28)10-8-16)20-5-3-4-6-21(20)24(37)36(23)2/h3-13H,14H2,1-2H3	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	0.400	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-P receptor (Homo sapiens (Human))	BDBM50067516 (7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYR...) Show SMILES C[C@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O2/c1-15-7-9-17(10-8-15)22-21-6-5-11-35-23(21)25(38)37(4)24(22)26(39)36(3)16(2)18-12-19(27(29,30)31)14-20(13-18)28(32,33)34/h5-14,16H,1-4H3/t16-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).				J Med Chem 41: 4232-9 (1998) Article DOI: 10.1021/jm980042m BindingDB Entry DOI: 10.7270/Q280538T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067516 (7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYR...) Show SMILES C[C@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H23F6N3O2/c1-15-7-9-17(10-8-15)22-21-6-5-11-35-23(21)25(38)37(4)24(22)26(39)36(3)16(2)18-12-19(27(29,30)31)14-20(13-18)28(32,33)34/h5-14,16H,1-4H3/t16-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).				J Med Chem 41: 4232-9 (1998) Article DOI: 10.1021/jm980042m BindingDB Entry DOI: 10.7270/Q280538T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081414 (7-(3,5-Bis-trifluoromethyl-benzyl)-5-p-tolyl-7,8,9...) Show SMILES Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCCn2c(=O)c2ncccc12 Show InChI InChI=1S/C28H21F6N3O2/c1-16-5-7-18(8-6-16)22-21-4-2-9-35-23(21)25(38)37-11-3-10-36(26(39)24(22)37)15-17-12-19(27(29,30)31)14-20(13-17)28(32,33)34/h2,4-9,12-14H,3,10-11,15H2,1H3	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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030584 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES Cn1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(-c2ccc(F)cc2)c2cccnc2c1=O Show InChI InChI=1S/C25H16F7N3O2/c1-35-21(19(14-4-6-17(26)7-5-14)18-3-2-8-33-20(18)23(35)37)22(36)34-12-13-9-15(24(27,28)29)11-16(10-13)25(30,31)32/h2-11H,12H2,1H3,(H,34,36)	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	1.10	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-P receptor (Homo sapiens (Human))	BDBM50030581 (2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C27H20F6N2O2/c1-34(15-16-12-18(26(28,29)30)14-19(13-16)27(31,32)33)25(37)23-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)24(36)35(23)2/h3-14H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	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-P receptor (Homo sapiens (Human))	BDBM50030572 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;12.44,-12.93,;13.77,-12.16,;15.12,-12.93,;15.1,-14.47,;13.77,-15.24,;16.43,-15.24,;17.65,-15.97,;16.69,-16.85,;17.95,-14.68,;13.77,-10.62,;13.77,-9.2,;15.03,-9.6,;12.53,-9.59,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C28H22F6N2O2/c1-16-8-4-5-9-20(16)23-21-10-6-7-11-22(21)25(37)36(3)24(23)26(38)35(2)15-17-12-18(27(29,30)31)14-19(13-17)28(32,33)34/h4-14H,15H2,1-3H3	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	1.30	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-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).				J Med Chem 41: 4232-9 (1998) Article DOI: 10.1021/jm980042m BindingDB Entry DOI: 10.7270/Q280538T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081412 (7-(3,5-Bis-trifluoromethyl-benzyl)-5-p-tolyl-7,8,9...) Show SMILES Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCCCCn2c(=O)c2ncccc12 Show InChI InChI=1S/C30H25F6N3O2/c1-18-7-9-20(10-8-18)24-23-6-5-11-37-25(23)27(40)39-13-4-2-3-12-38(28(41)26(24)39)17-19-14-21(29(31,32)33)16-22(15-19)30(34,35)36/h5-11,14-16H,2-4,12-13,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081417 (6-(3,5-Bis-trifluoromethyl-benzyl)-10-p-tolyl-7,8-...) Show SMILES Cc1ccc(cc1)-c1c2C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)CCn2c(=O)c2ncccc12 Show InChI InChI=1S/C27H19F6N3O2/c1-15-4-6-17(7-5-15)21-20-3-2-8-34-22(20)24(37)36-10-9-35(25(38)23(21)36)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h2-8,11-13H,9-10,14H2,1H3	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030611 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES Cc1ccccc1-c1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n(C)c(=O)c2ccccc12 |(3.09,-16.71,;4.42,-17.48,;4.42,-19.02,;5.75,-19.79,;7.08,-19.02,;7.09,-17.5,;5.76,-16.71,;5.77,-15.19,;7.12,-14.43,;8.43,-15.2,;8.43,-16.74,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;12.44,-12.93,;13.77,-12.16,;15.12,-12.93,;15.1,-14.47,;13.77,-15.24,;16.43,-15.24,;17.65,-15.97,;16.69,-16.85,;17.95,-14.68,;13.77,-10.62,;13.77,-9.2,;15.03,-9.6,;12.53,-9.59,;7.12,-12.89,;8.45,-12.12,;5.79,-12.11,;5.79,-10.57,;4.44,-12.88,;3.13,-12.09,;1.8,-12.88,;1.8,-14.42,;3.13,-15.17,;4.44,-14.42,)| Show InChI InChI=1S/C27H20F6N2O2/c1-15-7-3-4-8-19(15)22-20-9-5-6-10-21(20)25(37)35(2)23(22)24(36)34-14-16-11-17(26(28,29)30)13-18(12-16)27(31,32)33/h3-13H,14H2,1-2H3,(H,34,36)	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	2.5	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-P receptor (Homo sapiens (Human))	BDBM50030607 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES COc1ccccc1CN(C)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C25H22FN3O3/c1-28(15-17-7-4-5-9-20(17)32-3)25(31)23-21(16-10-12-18(26)13-11-16)19-8-6-14-27-22(19)24(30)29(23)2/h4-14H,15H2,1-3H3	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	2.5	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-P receptor (Homo sapiens (Human))	BDBM50030574 (7-Methyl-8-oxo-5-p-tolyl-7,8-dihydro-[1,7]naphthyr...) Show SMILES CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C25H21Cl2N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-28-22(20)24(31)30(3)23(21)25(32)29(2)14-16-11-18(26)13-19(27)12-16/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	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-P receptor (Homo sapiens (Human))	BDBM50030591 (6-Chloro-2-methyl-1-oxo-4-phenyl-1,2-dihydro-isoqu...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1C Show InChI InChI=1S/C27H19ClF6N2O2/c1-35(14-15-10-17(26(29,30)31)12-18(11-15)27(32,33)34)25(38)23-22(16-6-4-3-5-7-16)21-13-19(28)8-9-20(21)24(37)36(23)2/h3-13H,14H2,1-2H3	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	3.40	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-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030569 (1-(2-Chloro-benzyl)-1-methyl-3-(2,6,7-trimethyl-1-...) Show SMILES CN(Cc1ccccc1Cl)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C27H26ClN3O2/c1-17-14-21-22(15-18(17)2)26(32)31(4)25(24(21)19-10-6-5-7-11-19)29-27(33)30(3)16-20-12-8-9-13-23(20)28/h5-15H,16H2,1-4H3,(H,29,33)	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	4.20	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-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030582 (7-Methyl-8-oxo-5-p-tolyl-7,8-dihydro-[1,7]naphthyr...) Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H27N3O2/c1-17-8-10-21(11-9-17)23-22-7-6-12-28-24(22)26(31)30(5)25(23)27(32)29(4)16-20-14-18(2)13-19(3)15-20/h6-15H,16H2,1-5H3	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	4.40	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-P receptor (Homo sapiens (Human))	BDBM50030585 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C26H24FN3O2/c1-16-12-17(2)14-18(13-16)15-29(3)26(32)24-22(19-7-9-20(27)10-8-19)21-6-5-11-28-23(21)25(31)30(24)4/h5-14H,15H2,1-4H3	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	5.10	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-P receptor (Homo sapiens (Human))	BDBM50030594 (2,6,7-Trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquin...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C29H24F6N2O2/c1-16-10-22-23(11-17(16)2)26(38)37(4)25(24(22)19-8-6-5-7-9-19)27(39)36(3)15-18-12-20(28(30,31)32)14-21(13-18)29(33,34)35/h5-14H,15H2,1-4H3	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	8.40	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-P receptor (Homo sapiens (Human))	BDBM50081419 ((R)-7-(3,5-Bis-trifluoromethyl-benzyl)-9-methyl-5-...) Show SMILES C[C@@H]1CN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c2c(-c3ccc(C)cc3)c3cccnc3c(=O)n2C1 Show InChI InChI=1S/C29H23F6N3O2/c1-16-5-7-19(8-6-16)23-22-4-3-9-36-24(22)26(39)38-14-17(2)13-37(27(40)25(23)38)15-18-10-20(28(30,31)32)12-21(11-18)29(33,34)35/h3-12,17H,13-15H2,1-2H3/t17-/m1/s1	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50311792 (4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...) Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at PPARgamma cotransfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporte...				Bioorg Med Chem Lett 19: 6595-9 (2009) Article DOI: 10.1016/j.bmcl.2009.10.021 BindingDB Entry DOI: 10.7270/Q2736R23
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50311792 (4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...) Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at PPARdelta cotransfected with GAL4-PPAR fusion protein assessed as inhibition of GW501516-induced response by luciferase report...				Bioorg Med Chem Lett 19: 6595-9 (2009) Article DOI: 10.1016/j.bmcl.2009.10.021 BindingDB Entry DOI: 10.7270/Q2736R23
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50311792 (4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...) Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at PPARalpha cotransfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporte...				Bioorg Med Chem Lett 19: 6595-9 (2009) Article DOI: 10.1016/j.bmcl.2009.10.021 BindingDB Entry DOI: 10.7270/Q2736R23
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030604 (3-[(2-Methoxy-benzylamino)-methyl]-2,6,7-trimethyl...) Show SMILES COc1ccccc1CNCc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C27H28N2O2/c1-18-14-22-23(15-19(18)2)27(30)29(3)24(26(22)20-10-6-5-7-11-20)17-28-16-21-12-8-9-13-25(21)31-4/h5-15,28H,16-17H2,1-4H3	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	13	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-P receptor (Homo sapiens (Human))	BDBM50030571 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(12.42,-17.53,;13.77,-16.78,;13.77,-15.24,;15.1,-14.47,;15.12,-12.93,;13.77,-12.16,;12.44,-12.93,;12.44,-14.45,;11.11,-15.22,;9.78,-14.44,;9.78,-12.9,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C27H26N2O3/c1-18-11-5-7-13-20(18)24-21-14-8-9-15-22(21)26(30)29(3)25(24)27(31)28(2)17-19-12-6-10-16-23(19)32-4/h5-16H,17H2,1-4H3	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	16	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-P receptor (Homo sapiens (Human))	BDBM50030583 (1-Benzyl-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-pheny...) Show SMILES CN(Cc1ccccc1)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C27H27N3O2/c1-18-15-22-23(16-19(18)2)26(31)30(4)25(24(22)21-13-9-6-10-14-21)28-27(32)29(3)17-20-11-7-5-8-12-20/h5-16H,17H2,1-4H3,(H,28,32)	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	16	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-P receptor (Homo sapiens (Human))	BDBM50030593 (CHEMBL106326 | N-Methyl-N-(2-methyl-1-oxo-4-phenyl...) Show SMILES CN(Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H20F6N2O2/c1-34(24(36)17-12-18(26(28,29)30)14-19(13-17)27(31,32)33)15-22-23(16-8-4-3-5-9-16)20-10-6-7-11-21(20)25(37)35(22)2/h3-14H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	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-P receptor (Homo sapiens (Human))	BDBM50030579 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CN(Cc1ccccc1Cl)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;12.44,-12.93,;13.77,-12.16,;15.12,-12.93,;15.1,-14.47,;13.77,-15.24,;13.77,-16.78,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C26H23ClN2O2/c1-17-10-4-6-12-19(17)23-20-13-7-8-14-21(20)25(30)29(3)24(23)26(31)28(2)16-18-11-5-9-15-22(18)27/h4-15H,16H2,1-3H3	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	19	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
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50360307 (CHEMBL449307) Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r| Show InChI InChI=1S/C33H45N3O5/c1-6-8-15-22(4)26-20-27(37)35-30(28(24-16-11-9-12-17-24)25-18-13-10-14-19-25)32(39)34-23(5)31(38)36-29(21(3)7-2)33(40)41-26/h9-14,16-19,21-23,26,28-30H,6-8,15,20H2,1-5H3,(H,34,39)(H,35,37)(H,36,38)/t21-,22-,23+,26-,29+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages				Bioorg Med Chem Lett 22: 696-9 (2011) Article DOI: 10.1016/j.bmcl.2011.10.045 BindingDB Entry DOI: 10.7270/Q2ZC839D
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50081420 ((7R,9R)-7-(3,5-Bis-trifluoromethyl-benzyl)-9-methy...) Show SMILES C[C@@H]1CCn2c(c(-c3ccc(C)cc3)c3cccnc3c2=O)C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1 Show InChI InChI=1S/C30H25F6N3O2/c1-17-5-7-20(8-6-17)24-23-4-3-10-37-25(23)27(40)39-11-9-18(2)15-38(28(41)26(24)39)16-19-12-21(29(31,32)33)14-22(13-19)30(34,35)36/h3-8,10,12-14,18H,9,11,15-16H2,1-2H3/t18-/m1/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)				J Med Chem 42: 3982-93 (1999) BindingDB Entry DOI: 10.7270/Q2SF2VC8
					More data for this Ligand-Target Pair
Proteasome assembly chaperone 3 (Homo sapiens (Human))	BDBM50520988 (CHEMBL4435319) Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(O)=O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O Show InChI InChI=1S/C53H58O17/c1-19-23(5)41(30(12)44(63-15)34(19)49(56)57)69-52(61)36-21(3)25(7)40(29(11)46(36)65-17)67-48-27(9)33(38(54)28(10)39(48)55)51(60)68-43-26(8)22(4)37(47(66-18)32(43)14)53(62)70-42-24(6)20(2)35(50(58)59)45(64-16)31(42)13/h54-55H,1-18H3,(H,56,57)(H,58,59)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibition of PAC3 homodimer (unknown origin) protein-protein interaction				Bioorg Med Chem 26: 6023-6034 (2018) Article DOI: 10.1016/j.bmc.2018.11.001 BindingDB Entry DOI: 10.7270/Q24X5C69
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030587 (3-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-meth...) Show SMILES Cn1c(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(-c2ccccc2)c2ccccc2c1=O Show InChI InChI=1S/C26H19F6NO2/c1-33-22(15-35-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)24(33)34/h2-13H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	23	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-P receptor (Homo sapiens (Human))	BDBM50030598 (1-(2-Methoxy-benzyl)-1-methyl-3-(2,6,7-trimethyl-1...) Show SMILES COc1ccccc1CN(C)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C28H29N3O3/c1-18-15-22-23(16-19(18)2)27(32)31(4)26(25(22)20-11-7-6-8-12-20)29-28(33)30(3)17-21-13-9-10-14-24(21)34-5/h6-16H,17H2,1-5H3,(H,29,33)	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	23	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-P receptor (Homo sapiens (Human))	BDBM50030608 (1-(3,5-Dimethyl-benzyl)-1-methyl-3-(2,6,7-trimethy...) Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C29H31N3O2/c1-18-12-19(2)14-22(13-18)17-31(5)29(34)30-27-26(23-10-8-7-9-11-23)24-15-20(3)21(4)16-25(24)28(33)32(27)6/h7-16H,17H2,1-6H3,(H,30,34)	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	28	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-P receptor (Homo sapiens (Human))	BDBM50030588 (2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3...) Show SMILES COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C26H24N2O3/c1-27(17-19-13-7-10-16-22(19)31-3)26(30)24-23(18-11-5-4-6-12-18)20-14-8-9-15-21(20)25(29)28(24)2/h4-16H,17H2,1-3H3	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	30	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-P receptor (Homo sapiens (Human))	BDBM50030597 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES CN(Cc1ccccc1Cl)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C24H19ClFN3O2/c1-28(14-16-6-3-4-8-19(16)25)24(31)22-20(15-9-11-17(26)12-10-15)18-7-5-13-27-21(18)23(30)29(22)2/h3-13H,14H2,1-2H3	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	32	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-P receptor (Homo sapiens (Human))	BDBM50030606 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;13.77,-15.24,;15.1,-14.47,;16.43,-15.24,;15.12,-12.93,;13.77,-12.16,;13.77,-10.62,;12.44,-12.93,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C28H28N2O2/c1-18-14-19(2)16-21(15-18)17-29(4)28(32)26-25(22-11-7-6-10-20(22)3)23-12-8-9-13-24(23)27(31)30(26)5/h6-16H,17H2,1-5H3	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	32	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-P receptor (Homo sapiens (Human))	BDBM50030601 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CCN(Cc1ccccc1OC)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(11.13,-12.14,;9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;12.44,-12.93,;13.77,-12.16,;15.12,-12.93,;15.1,-14.47,;13.77,-15.24,;13.77,-16.78,;12.42,-17.53,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C28H28N2O3/c1-5-30(18-20-13-7-11-17-24(20)33-4)28(32)26-25(21-14-8-6-12-19(21)2)22-15-9-10-16-23(22)27(31)29(26)3/h6-17H,5,18H2,1-4H3	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	34	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-P receptor (Homo sapiens (Human))	BDBM50030578 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CN(Cc1ccccc1)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;13.77,-15.24,;15.1,-14.47,;15.12,-12.93,;13.77,-12.16,;12.44,-12.93,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C26H24N2O2/c1-18-11-7-8-14-20(18)23-21-15-9-10-16-22(21)25(29)28(3)24(23)26(30)27(2)17-19-12-5-4-6-13-19/h4-16H,17H2,1-3H3	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	34	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

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