Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'herbert' and Initial = 'r'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095049 (3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole ...) Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C27H28N2/c1-3-9-21(10-4-1)15-18-29-19-16-22(17-20-29)26-24-13-7-8-14-25(24)28-27(26)23-11-5-2-6-12-23/h1-14,22,28H,15-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095053 (3-[1-(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-pi...) Show SMILES C(Cc1ccccc1)N1C2CCC1CC(C2)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1 |TLB:0:8:14.13.15:10.11,THB:16:14:8:10.11| Show InChI InChI=1S/C34H39N3/c1-3-9-25(10-4-1)17-22-37-28-15-16-29(37)24-30(23-28)36-20-18-26(19-21-36)33-31-13-7-8-14-32(31)35-34(33)27-11-5-2-6-12-27/h1-14,26,28-30,35H,15-24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095053 (3-[1-(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-pi...) Show SMILES C(Cc1ccccc1)N1C2CCC1CC(C2)N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1 |TLB:0:8:14.13.15:10.11,THB:16:14:8:10.11| Show InChI InChI=1S/C34H39N3/c1-3-9-25(10-4-1)17-22-37-28-15-16-29(37)24-30(23-28)36-20-18-26(19-21-36)33-31-13-7-8-14-32(31)35-34(33)27-11-5-2-6-12-27/h1-14,26,28-30,35H,15-24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50451155 (CHEMBL3084807) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)N1CCC(CC1)c1c([nH]c3ccccc13)-c1ccccc1)N2C |r,TLB:9:7:30:2.3| Show InChI InChI=1S/C27H33N3/c1-29-21-11-12-22(29)18-23(17-21)30-15-13-19(14-16-30)26-24-9-5-6-10-25(24)28-27(26)20-7-3-2-4-8-20/h2-10,19,21-23,28H,11-18H2,1H3/t21-,22+,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50451155 (CHEMBL3084807) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)N1CCC(CC1)c1c([nH]c3ccccc13)-c1ccccc1)N2C |r,TLB:9:7:30:2.3| Show InChI InChI=1S/C27H33N3/c1-29-21-11-12-22(29)18-23(17-21)30-15-13-19(14-16-30)26-24-9-5-6-10-25(24)28-27(26)20-7-3-2-4-8-20/h2-10,19,21-23,28H,11-18H2,1H3/t21-,22+,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095048 (3-[1-(8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-piper...) Show SMILES C1CC2CC(CC1N2)c1c([nH]c2ccccc12)-c1ccccc1 |TLB:8:4:7:0.1| Show InChI InChI=1S/C21H22N2/c1-2-6-14(7-3-1)21-20(18-8-4-5-9-19(18)23-21)15-12-16-10-11-17(13-15)22-16/h1-9,15-17,22-23H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095028 (2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...) Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095054 (1-{2-[4-(2-Phenyl-1H-indol-3-yl)-piperidin-1-yl]-e...) Show SMILES O=C1NCCN1CCN1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H28N4O/c29-24-25-12-15-28(24)17-16-27-13-10-18(11-14-27)22-20-8-4-5-9-21(20)26-23(22)19-6-2-1-3-7-19/h1-9,18,26H,10-17H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095055 (3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole | C...) Show SMILES CN1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H22N2/c1-22-13-11-15(12-14-22)19-17-9-5-6-10-18(17)21-20(19)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095050 (2-Phenyl-3-piperidin-4-yl-1H-indole | 2-phenyl-3-(...) Show SMILES C1CC(CCN1)c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117522 ((5S,6R,9S)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@H](CO1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound to human Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095051 (3-(1-Benzyl-piperidin-4-yl)-2-phenyl-1H-indole | C...) Show SMILES C(N1CCC(CC1)c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H26N2/c1-3-9-20(10-4-1)19-28-17-15-21(16-18-28)25-23-13-7-8-14-24(23)27-26(25)22-11-5-2-6-12-22/h1-14,21,27H,15-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 2701-3 (2000) BindingDB Entry DOI: 10.7270/Q23J3C7W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117508 ((5S,6R,9R)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@@H](CO1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound to human Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50002660 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(8.36,4.94,;8.17,3.4,;6.82,2.63,;5.49,3.41,;6.26,2.08,;5.16,1,;5.49,.33,;4.18,1.09,;4.18,2.63,;6.82,1.09,;8.17,.32,;9.5,1.09,;9.5,2.63,;10.83,3.4,;12.16,2.63,;12.16,1.09,;10.83,.32,;8.15,-1.22,;6.82,-1.98,;6.82,-3.52,;8.15,-4.29,;9.5,-3.52,;9.48,-1.98,;9.78,5.52,;9.99,7.04,;11.41,7.61,;12.63,6.69,;12.44,5.17,;11.01,4.57,)| Show InChI InChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0850	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50290861 (5-{3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-pip...) Show SMILES C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H24Cl2N4O2/c1-14(16-10-17(23)12-18(24)11-16)30-19-8-5-9-28(13-20-25-22(29)27-26-20)21(19)15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19,21H,5,8-9,13H2,1H3,(H2,25,26,27,29)/t14-,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117509 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C23H23F4N5O3/c1-33-19-7-6-17(32-21(23(25,26)27)29-30-31-32)10-18(19)15-11-22(13-34-12-15)20(28-8-9-35-22)14-2-4-16(24)5-3-14/h2-7,10,15,20,28H,8-9,11-13H2,1H3/t15-,20+,22?/m1/s1	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117523 (5-{(5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C26H26F4N8O4/c1-40-20-7-6-18(38-23(26(28,29)30)33-35-36-38)10-19(20)16-11-25(14-41-13-16)22(15-2-4-17(27)5-3-15)37(8-9-42-25)12-21-31-24(39)34-32-21/h2-7,10,16,22H,8-9,11-14H2,1H3,(H2,31,32,34,39)/t16-,22+,25?/m1/s1	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50290865 (3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...) Show SMILES C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c1-13(15-10-16(20(22,23)24)12-17(11-15)21(25,26)27)29-18-8-5-9-28-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,28H,5,8-9H2,1H3/t13-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50290856 (3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-ph...) Show SMILES C[C@@H](O[C@H]1CCCN(Cc2nnc[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O/c1-15(17-10-18(23(25,26)27)12-19(11-17)24(28,29)30)35-20-8-5-9-34(13-21-31-14-32-33-21)22(20)16-6-3-2-4-7-16/h2-4,6-7,10-12,14-15,20,22H,5,8-9,13H2,1H3,(H,31,32,33)/t15-,20+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50290859 (5-{3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2...) Show SMILES C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O2/c1-14(16-10-17(23(25,26)27)12-18(11-16)24(28,29)30)36-19-8-5-9-34(13-20-31-22(35)33-32-20)21(19)15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19,21H,5,8-9,13H2,1H3,(H2,31,32,33,35)/t14-,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50052280 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H22F6N4O/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)13-34-19-7-4-8-33(12-20-30-14-31-32-20)21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19,21H,4,7-8,12-13H2,(H,30,31,32)/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029878 ((2R,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...) Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |wU:16.18,wD:9.8,(5.48,-3.03,;5.21,-1.43,;6.73,-.86,;6.44,-2.13,;3.88,-.68,;2.54,-1.45,;1.21,-.68,;-.13,-1.45,;-.13,-2.99,;-1.46,-3.76,;-2.8,-2.99,;-4.13,-3.74,;-4.15,-5.28,;-2.82,-6.05,;-2.54,-4.74,;-3.33,-3.97,;-1.46,-5.3,;-.13,-6.07,;1.2,-5.3,;1.2,-3.78,;2.53,-3.01,;3.86,-3.79,;3.86,-5.33,;2.53,-6.09,;-.14,-7.61,;-1.49,-8.36,;-1.49,-9.9,;-.16,-10.69,;1.17,-9.92,;1.17,-8.38,;1.21,.86,;2.54,1.65,;3.88,.88,;2.53,3.17,;3.76,4.2,;1.28,4.19,;2.53,4.59,)| Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27+/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029884 ((2S,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...) Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |wD:16.18,9.8,(12.7,-1.59,;11.46,-2.62,;10.22,-1.61,;11.46,-1.22,;11.48,-4.16,;10.15,-4.95,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;11.48,-11.88,;12.82,-11.11,;12.82,-9.57,;11.48,-8.8,;10.15,-9.57,;8.8,-13.42,;10.13,-14.17,;10.15,-15.71,;8.8,-16.48,;7.47,-15.71,;7.47,-14.17,;11.48,-7.26,;12.82,-6.49,;12.82,-4.93,;14.15,-7.26,;15.38,-7.94,;14.42,-8.84,;15.66,-6.67,)| Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029847 (2-Benzhydryl-3-(3-iodo-5-methyl-benzyloxy)-1-aza-b...) Show SMILES Cc1cc(I)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)| Show InChI InChI=1S/C28H30INO/c1-20-16-21(18-25(29)17-20)19-31-28-24-12-14-30(15-13-24)27(28)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,16-18,24,26-28H,12-15,19H2,1H3	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117515 (5-[(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-p...) Show SMILES COc1ccccc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C24H27FN4O4/c1-31-20-5-3-2-4-19(20)17-12-24(15-32-14-17)22(16-6-8-18(25)9-7-16)29(10-11-33-24)13-21-26-23(30)28-27-21/h2-9,17,22H,10-15H2,1H3,(H2,26,27,28,30)/t17-,22+,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000040 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/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	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029871 (2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicy...) Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029869 (2-Benzhydryl-3-(3-methyl-5-trimethylsilanyl-benzyl...) Show SMILES Cc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)[Si](C)(C)C |(9.34,3.36,;9.34,1.83,;8.01,1.06,;8.01,-.5,;6.65,-1.28,;6.65,-2.83,;5.35,-3.64,;3.95,-2.9,;4.74,-4.05,;3.3,-4.93,;4.07,-6.03,;2.69,-5.29,;2.63,-3.72,;5.39,-5.21,;6.75,-5.93,;8.05,-5.11,;9.4,-5.83,;10.68,-5.02,;10.64,-3.49,;9.28,-2.77,;7.99,-3.55,;6.81,-7.46,;5.5,-8.25,;5.56,-9.79,;6.9,-10.51,;8.2,-9.69,;8.15,-8.17,;9.34,-1.28,;10.7,-.51,;10.7,1.04,;12.02,-1.28,;12.01,-2.82,;13.35,-.52,;10.94,-2.35,)| Show InChI InChI=1S/C31H39NOSi/c1-23-19-24(21-28(20-23)34(2,3)4)22-33-31-27-15-17-32(18-16-27)30(31)29(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,19-21,27,29-31H,15-18,22H2,1-4H3	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029871 (2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicy...) Show SMILES Cc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50290863 (3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-piperi...) Show SMILES C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H21Cl2NO/c1-13(15-10-16(20)12-17(21)11-15)23-18-8-5-9-22-19(18)14-6-3-2-4-7-14/h2-4,6-7,10-13,18-19,22H,5,8-9H2,1H3/t13-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50455940 (CHEMBL8250) Show SMILES Cn1cc(C2=NCC3(CCN4CCCC3C4)O2)c2ccccc12 |t:4,TLB:16:7:15:11.13.12,THB:6:7:15:11.13.12| Show InChI InChI=1S/C19H23N3O/c1-21-12-16(15-6-2-3-7-17(15)21)18-20-13-19(23-18)8-10-22-9-4-5-14(19)11-22/h2-3,6-7,12,14H,4-5,8-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the displacement of [3H]Q-ICS-205-930 from 5-HT3 recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117510 (CHEMBL84881 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...) Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2C(F)(F)F)C1c1ccc(F)cc1 Show InChI InChI=1S/C27H31F4N5O2/c1-35(2)15-23-24(33-34-32-23)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-22(21)27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50117516 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-5-tr...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO3/c1-28-19-7-4-16(22(24,25)26)10-18(19)15-11-21(13-29-12-15)20(27-8-9-30-21)14-2-5-17(23)6-3-14/h2-7,10,15,20,27H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117521 (CHEMBL85626 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...) Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2OC(F)(F)F)C1c1ccc(F)cc1 Show InChI InChI=1S/C27H31F4N5O3/c1-35(2)15-22-23(33-34-32-22)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-24(21)39-27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029879 (2-Benzhydryl-3-(3-methoxy-5-methyl-benzyloxy)-1-az...) Show SMILES COc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;11.58,-.05,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;11.59,-4.65,)| Show InChI InChI=1S/C29H33NO2/c1-21-17-22(19-26(18-21)31-2)20-32-29-25-13-15-30(16-14-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,25,27-29H,13-16,20H2,1-2H3	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029879 (2-Benzhydryl-3-(3-methoxy-5-methyl-benzyloxy)-1-az...) Show SMILES COc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;11.58,-.05,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;11.59,-4.65,)| Show InChI InChI=1S/C29H33NO2/c1-21-17-22(19-26(18-21)31-2)20-32-29-25-13-15-30(16-14-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,25,27-29H,13-16,20H2,1-2H3	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029839 (2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)...) Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |(11.57,1.33,;11.58,-.05,;12.81,.96,;10.35,.96,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;11.59,-4.65,;12.93,-3.87,;12.93,-2.33,;14.24,-4.64,;15.43,-5.33,;14.49,-6.19,;15.73,-4.08,)| Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029839 (2-Benzhydryl-3-(3,5-bis-trifluoromethyl-benzyloxy)...) Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |(11.57,1.33,;11.58,-.05,;12.81,.96,;10.35,.96,;11.58,-1.57,;10.26,-2.33,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,;11.59,-4.65,;12.93,-3.87,;12.93,-2.33,;14.24,-4.64,;15.43,-5.33,;14.49,-6.19,;15.73,-4.08,)| Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM21016 (CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50455933 (CHEMBL1169549) Show SMILES Cn1cc(C2=NC[C@@]3(CN4CCC3CC4)O2)c2ccccc12 |r,wU:7.7,wD:7.16,t:4,THB:6:7:11.10:13.14,(-7.65,-1.73,;-6.24,-2.35,;-4.91,-1.58,;-3.76,-2.61,;-2.26,-2.29,;-1.63,-.88,;-.1,-1.04,;.22,-2.54,;.42,-3.95,;1.99,-3.28,;3.39,-3.93,;3.1,-2.51,;1.72,-1.89,;1.79,-.21,;2.25,-1.34,;-1.11,-3.32,;-4.39,-4.02,;-3.76,-5.42,;-4.66,-6.67,;-6.19,-6.51,;-6.82,-5.11,;-5.92,-3.86,)| Show InChI InChI=1S/C18H21N3O/c1-20-10-15(14-4-2-3-5-16(14)20)17-19-11-18(22-17)12-21-8-6-13(18)7-9-21/h2-5,10,13H,6-9,11-12H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the displacement of [3H]Q-ICS-205-930 from 5-HT3 recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117514 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(5-isopropyl-2-...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C24H30FNO3/c1-16(2)18-6-9-22(27-3)21(12-18)19-13-24(15-28-14-19)23(26-10-11-29-24)17-4-7-20(25)8-5-17/h4-9,12,16,19,23,26H,10-11,13-15H2,1-3H3/t19-,23+,24?/m1/s1	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50455913 (CHEMBL1169545) Show SMILES Cn1cc(C2=NC[C@]3(CN4CCC3CC4)O2)c2ccccc12 |r,wU:7.16,wD:7.7,t:4,THB:6:7:11.10:13.14,(-7.65,-1.73,;-6.24,-2.35,;-4.91,-1.58,;-3.76,-2.61,;-2.26,-2.29,;-1.63,-.88,;-.1,-1.04,;.22,-2.54,;.42,-3.95,;1.99,-3.28,;3.39,-3.93,;3.1,-2.51,;1.72,-1.89,;1.79,-.21,;2.25,-1.34,;-1.11,-3.32,;-4.39,-4.02,;-3.76,-5.42,;-4.66,-6.67,;-6.19,-6.51,;-6.82,-5.11,;-5.92,-3.86,)| Show InChI InChI=1S/C18H21N3O/c1-20-10-15(14-4-2-3-5-16(14)20)17-19-11-18(22-17)12-21-8-6-13(18)7-9-21/h2-5,10,13H,6-9,11-12H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50455942 (CHEMBL7788) Show SMILES [H][C@@]12CC[N@@](C1)C[C@]21CN=C(O1)c1cn(C)c2ccccc12 |c:11| Show InChI InChI=1S/C17H19N3O/c1-19-9-14(13-4-2-3-5-15(13)19)16-18-10-17(21-16)11-20-7-6-12(17)8-20/h2-5,9,12H,6-8,10-11H2,1H3/t12-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50455920 (CHEMBL1169546) Show SMILES Cl.Cl.Cn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc12 |t:4,THB:8:9:13.12:15.16,(.43,-6.37,;3.28,-6.74,;-7.65,-1.73,;-6.24,-2.35,;-4.91,-1.58,;-3.76,-2.61,;-2.26,-2.29,;-1.63,-.88,;-.1,-1.04,;.22,-2.54,;.42,-3.95,;1.99,-3.28,;3.39,-3.93,;3.1,-2.51,;1.72,-1.89,;1.79,-.21,;2.25,-1.34,;-1.11,-3.32,;-4.39,-4.02,;-3.76,-5.42,;-4.66,-6.67,;-6.19,-6.51,;-6.82,-5.11,;-5.92,-3.86,)| Show InChI InChI=1S/C18H21N3O.2ClH/c1-20-10-15(14-4-2-3-5-16(14)20)17-19-11-18(22-17)12-21-8-6-13(18)7-9-21;;/h2-5,10,13H,6-9,11-12H2,1H3;2*1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50455924 (CHEMBL276728) Show SMILES [H][C@@]12CC[N@@](C1)C[C@@]21CN=C(O1)c1cn(C)c2ccccc12 |c:11| Show InChI InChI=1S/C17H19N3O/c1-19-9-14(13-4-2-3-5-15(13)19)16-18-10-17(21-16)11-20-7-6-12(17)8-20/h2-5,9,12H,6-8,10-11H2,1H3/t12-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029850 (3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-(1,2-diphe...) Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(Cc2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |(5.53,2.21,;5.53,.81,;6.77,1.82,;4.29,1.81,;5.55,-.73,;4.2,-1.5,;4.2,-3.06,;2.84,-3.85,;2.84,-5.41,;1.54,-6.22,;.15,-5.48,;-1.19,-6.3,;-1.13,-7.88,;.24,-8.63,;-.51,-7.51,;.92,-6.63,;1.59,-7.79,;2.95,-8.52,;4.25,-7.7,;5.6,-8.42,;5.65,-9.96,;7,-10.68,;8.31,-9.87,;8.26,-8.32,;6.9,-7.61,;2.99,-10.06,;4.34,-10.77,;4.41,-12.29,;3.1,-13.12,;1.73,-12.4,;1.69,-10.86,;5.55,-3.85,;6.91,-3.08,;6.91,-1.52,;8.24,-3.85,;9.45,-4.55,;8.49,-5.44,;9.74,-3.27,)| Show InChI InChI=1S/C30H29F6NO/c31-29(32,33)24-15-21(16-25(18-24)30(34,35)36)19-38-28-23-11-13-37(14-12-23)27(28)26(22-9-5-2-6-10-22)17-20-7-3-1-4-8-20/h1-10,15-16,18,23,26-28H,11-14,17,19H2	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50455939 (CHEMBL8615) Show SMILES C1N=C(OC11CN2CCC1CC2)c1c[nH]c2ccccc12 |c:1,(14.89,-3.79,;13.53,-4.49,;13.77,-6,;15.29,-6.26,;15.98,-4.88,;16.47,-6.32,;17.88,-6.8,;18.99,-5.49,;18.49,-4.01,;16.99,-3.73,;16.99,-5.26,;17.97,-4.88,;12.68,-7.09,;12.68,-8.65,;11.34,-9.43,;9.99,-8.65,;8.66,-9.42,;7.33,-8.65,;7.33,-7.11,;8.66,-6.32,;9.99,-7.09,)| Show InChI InChI=1S/C17H19N3O/c1-2-4-15-13(3-1)14(9-18-15)16-19-10-17(21-16)11-20-7-5-12(17)6-8-20/h1-4,9,12,18H,5-8,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes				J Med Chem 35: 1019-31 (1992) BindingDB Entry DOI: 10.7270/Q2833THX
					More data for this Ligand-Target Pair

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