Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'owen' and Initial = 'sn'   

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))	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
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))	BDBM50403954 (CHEMBL2112366) Show SMILES COc1ccc(cc1C1=CC2(CCCN[C@H]2c2ccccc2)OC1)-n1nnnc1C(F)(F)F |r,t:9| Show InChI InChI=1S/C23H22F3N5O2/c1-32-19-9-8-17(31-21(23(24,25)26)28-29-30-31)12-18(19)16-13-22(33-14-16)10-5-11-27-20(22)15-6-3-2-4-7-15/h2-4,6-9,12-13,20,27H,5,10-11,14H2,1H3/t20-,22?/m0/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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					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 (Homo sapiens (Human))	BDBM50118664 (5-{3-[2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl...) Show SMILES COc1ccc(cc1[C@H]1COC2(C1)CCCN(Cc1n[nH]c(=O)[nH]1)C2c1ccccc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C26H27F3N8O3/c1-39-20-9-8-18(37-23(26(27,28)29)32-34-35-37)12-19(20)17-13-25(40-15-17)10-5-11-36(14-21-30-24(38)33-31-21)22(25)16-6-3-2-4-7-16/h2-4,6-9,12,17,22H,5,10-11,13-15H2,1H3,(H2,30,31,33,38)/t17-,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 & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					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 (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))	BDBM50118667 (7-(1H-Imidazol-4-ylmethyl)-3-[2-methoxy-5-(5-trifl...) Show SMILES COc1ccc(cc1[C@H]1COC2(C1)CCCN(Cc1cnc[nH]1)C2c1ccccc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C27H28F3N7O2/c1-38-23-9-8-21(37-25(27(28,29)30)33-34-35-37)12-22(23)19-13-26(39-16-19)10-5-11-36(15-20-14-31-17-32-20)24(26)18-6-3-2-4-7-18/h2-4,6-9,12,14,17,19,24H,5,10-11,13,15-16H2,1H3,(H,31,32)/t19-,24?,26?/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50118666 (3-[2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-p...) Show SMILES COc1ccc(cc1[C@H]1COC2(C1)CCCNC2c1ccccc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C23H24F3N5O2/c1-32-19-9-8-17(31-21(23(24,25)26)28-29-30-31)12-18(19)16-13-22(33-14-16)10-5-11-27-20(22)15-6-3-2-4-7-15/h2-4,6-9,12,16,20,27H,5,10-11,13-14H2,1H3/t16-,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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					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))	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))	BDBM50403953 (CHEMBL2112368) Show SMILES COc1ccc(OC(F)(F)F)cc1[C@H]1COC2(C1)CCCN[C@H]2c1ccccc1 Show InChI InChI=1S/C22H24F3NO3/c1-27-19-9-8-17(29-22(23,24)25)12-18(19)16-13-21(28-14-16)10-5-11-26-20(21)15-6-3-2-4-7-15/h2-4,6-9,12,16,20,26H,5,10-11,13-14H2,1H3/t16-,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					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))	BDBM50118671 (3-(2-Methoxy-5-trifluoromethoxy-phenyl)-6-phenyl-1...) Show SMILES COc1ccc(OC(F)(F)F)cc1C1=CC2(CCCNC2c2ccccc2)OC1 |t:14| Show InChI InChI=1S/C22H22F3NO3/c1-27-19-9-8-17(29-22(23,24)25)12-18(19)16-13-21(28-14-16)10-5-11-26-20(21)15-6-3-2-4-7-15/h2-4,6-9,12-13,20,26H,5,10-11,14H2,1H3	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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					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	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells				Bioorg Med Chem Lett 3: 1361-1366 (1993) Article DOI: 10.1016/S0960-894X(00)80349-2 BindingDB Entry DOI: 10.7270/Q2251J4R
					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 (Homo sapiens (Human))	BDBM50118670 (3-(2-Methoxy-5-trifluoromethoxy-phenyl)-6-phenyl-7...) Show SMILES COc1ccc(OC(F)(F)F)cc1[C@H]1COC2(C1)CCCN(Cc1nnc[nH]1)C2c1ccccc1 Show InChI InChI=1S/C25H27F3N4O3/c1-33-21-9-8-19(35-25(26,27)28)12-20(21)18-13-24(34-15-18)10-5-11-32(14-22-29-16-30-31-22)23(24)17-6-3-2-4-7-17/h2-4,6-9,12,16,18,23H,5,10-11,13-15H2,1H3,(H,29,30,31)/t18-,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	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					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))	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))	BDBM50281976 ((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...) Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;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,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| 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/t28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells				Bioorg Med Chem Lett 3: 1361-1366 (1993) Article DOI: 10.1016/S0960-894X(00)80349-2 BindingDB Entry DOI: 10.7270/Q2251J4R
					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
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
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	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards wild type human Wild-type tachykinin receptor 1 expressed in Chinese hamster ovary cells				Bioorg Med Chem Lett 5: 1261-1264 (1995) Article DOI: 10.1016/0960-894X(95)00205-8 BindingDB Entry DOI: 10.7270/Q2RR1Z57
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50281976 ((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...) Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;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,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| 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/t28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards wild type human Wild-type tachykinin receptor 1 expressed in Chinese hamster ovary cells				Bioorg Med Chem Lett 5: 1261-1264 (1995) Article DOI: 10.1016/0960-894X(95)00205-8 BindingDB Entry DOI: 10.7270/Q2RR1Z57
					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
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
Substance-P receptor (Homo sapiens (Human))	BDBM50118662 (3-(2-Methoxy-phenyl)-6-phenyl-1-oxa-7-aza-spiro[4....) Show SMILES COc1ccccc1[C@H]1COC2(C1)CCCNC2c1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-23-19-11-6-5-10-18(19)17-14-21(24-15-17)12-7-13-22-20(21)16-8-3-2-4-9-16/h2-6,8-11,17,20,22H,7,12-15H2,1H3/t17-,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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2719-22 (2002) BindingDB Entry DOI: 10.7270/Q2C828NC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029876 (3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-(cyclohexy...) Show SMILES FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(C2CCCCC2)c2ccccc2)cc(c1)C(F)(F)F |(17.65,1.69,;16.33,.91,;14.99,1.67,;17.81,.53,;16.35,-.63,;15.01,-1.4,;15.01,-2.95,;13.65,-3.73,;13.65,-5.29,;12.35,-6.1,;10.96,-5.36,;11.73,-6.51,;10.3,-7.4,;11.05,-8.5,;9.68,-7.75,;9.63,-6.19,;12.4,-7.67,;13.75,-8.38,;15.06,-7.57,;14.99,-6.05,;16.3,-5.23,;17.65,-5.96,;17.7,-7.5,;16.4,-8.3,;13.8,-9.93,;12.5,-10.73,;12.54,-12.26,;13.91,-12.99,;15.21,-12.16,;15.15,-10.64,;16.35,-3.74,;17.71,-2.96,;17.71,-1.4,;19.03,-3.74,;19.01,-5.28,;20.36,-2.98,;17.94,-4.82,)| Show InChI InChI=1S/C29H33F6NO/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/h1,3-4,7-8,15-17,21-22,25-27H,2,5-6,9-14,18H2	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	7.5	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))	BDBM50029875 (2-Benzhydryl-3-(3,5-dimethoxy-benzyloxy)-1-aza-bic...) Show SMILES COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;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,;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,;10.26,-2.33,;11.58,-1.57,;11.59,-.05,;10.27,.7,;12.93,-2.33,)| Show InChI InChI=1S/C29H33NO3/c1-31-25-17-21(18-26(19-25)32-2)20-33-29-24-13-15-30(16-14-24)28(29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,24,27-29H,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	8.30	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))	BDBM50029875 (2-Benzhydryl-3-(3,5-dimethoxy-benzyloxy)-1-aza-bic...) Show SMILES COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1 |(15.55,-3.88,;14.23,-4.64,;12.93,-3.87,;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,;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,;10.26,-2.33,;11.58,-1.57,;11.59,-.05,;10.27,.7,;12.93,-2.33,)| Show InChI InChI=1S/C29H33NO3/c1-31-25-17-21(18-26(19-25)32-2)20-33-29-24-13-15-30(16-14-24)28(29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,24,27-29H,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	8.30	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))	BDBM50029845 (2-Benzhydryl-3-(3,5-dichloro-benzyloxy)-1-aza-bicy...) Show SMILES Clc1cc(Cl)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-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,;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,;11.59,-4.65,)| Show InChI InChI=1S/C27H27Cl2NO/c28-23-15-19(16-24(29)17-23)18-31-27-22-11-13-30(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	9	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))	BDBM50029845 (2-Benzhydryl-3-(3,5-dichloro-benzyloxy)-1-aza-bicy...) Show SMILES Clc1cc(Cl)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-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,;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,;11.59,-4.65,)| Show InChI InChI=1S/C27H27Cl2NO/c28-23-15-19(16-24(29)17-23)18-31-27-22-11-13-30(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	9	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))	BDBM50117511 ((3S,5S,10S)-10-(5-Fluoro-2-methoxy-phenyl)-5-(4-fl...) Show SMILES COc1ccc(F)cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO3/c1-25-19-7-6-17(23)10-18(19)15-11-21(13-26-12-15)20(24-8-9-27-21)14-2-4-16(22)5-3-14/h2-7,10,15,20,24H,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	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
Substance-P receptor (Homo sapiens (Human))	BDBM50117518 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-phen...) Show SMILES COc1ccccc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H24FNO3/c1-24-19-5-3-2-4-18(19)16-12-21(14-25-13-16)20(23-10-11-26-21)15-6-8-17(22)9-7-15/h2-9,16,20,23H,10-14H2,1H3/t16-,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	13	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))	BDBM50117524 ((3S,5S,10S)-10-(2,5-Dimethoxy-phenyl)-5-(4-fluoro-...) Show SMILES COc1ccc(OC)c(c1)[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C22H26FNO4/c1-25-18-7-8-20(26-2)19(11-18)16-12-22(14-27-13-16)21(24-9-10-28-22)15-3-5-17(23)6-4-15/h3-8,11,16,21,24H,9-10,12-14H2,1-2H3/t16-,21+,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	16	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))	BDBM50117506 (5-(5,9-Diphenyl-1,7-dioxa-4-aza-spiro[5.5]undec-4-...) Show SMILES O=c1[nH]nc(CN2CCOC3(CCC(CO3)c3ccccc3)C2c2ccccc2)[nH]1 Show InChI InChI=1S/C23H26N4O3/c28-22-24-20(25-26-22)15-27-13-14-29-23(21(27)18-9-5-2-6-10-18)12-11-19(16-30-23)17-7-3-1-4-8-17/h1-10,19,21H,11-16H2,(H2,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	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))	BDBM50029872 (2-Benzhydryl-3-(3-methyl-benzyloxy)-1-aza-bicyclo[...) Show SMILES Cc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;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,;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,;10.26,-2.33,)| Show InChI InChI=1S/C28H31NO/c1-21-9-8-10-22(19-21)20-30-28-25-15-17-29(18-16-25)27(28)26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-14,19,25-28H,15-18,20H2,1H3	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	20	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))	BDBM50281980 ((2S,3S)-2-Benzhydryl-3-(3-methyl-benzyloxy)-1-aza-...) Show SMILES Cc1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:15.17,8.7,(1.76,5.78,;1.77,4.24,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;-.9,-4.98,;-2.24,-5.75,;-2.24,-7.29,;-.9,-8.06,;.43,-7.29,;.43,-5.75,;.45,3.47,)| Show InChI InChI=1S/C28H31NO/c1-21-9-8-10-22(19-21)20-30-28-25-15-17-29(18-16-25)27(28)26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-14,19,25-28H,15-18,20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells				Bioorg Med Chem Lett 3: 1361-1366 (1993) Article DOI: 10.1016/S0960-894X(00)80349-2 BindingDB Entry DOI: 10.7270/Q2251J4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117507 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-trifluoromet...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(28-10-9-26-19)11-15(12-27-13-20)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	n/a	n/a	24	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))	BDBM50117513 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(3-trifluoromet...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11COC[C@@H](C1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-18-6-4-14(5-7-18)19-20(28-9-8-26-19)11-16(12-27-13-20)15-2-1-3-17(10-15)21(23,24)25/h1-7,10,16,19,26H,8-9,11-13H2/t16-,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	n/a	n/a	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))	BDBM50029842 (2-Benzhydryl-3-(3,5-difluoro-benzyloxy)-1-aza-bicy...) Show SMILES Fc1cc(F)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/C27H27F2NO/c28-23-15-19(16-24(29)17-23)18-31-27-22-11-13-30(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	33	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))	BDBM50029863 (2-Benzhydryl-3-(2,5-dimethyl-benzyloxy)-1-aza-bicy...) Show SMILES Cc1ccc(C)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(14.24,-4.64,;12.93,-3.87,;12.93,-2.33,;11.58,-1.57,;10.26,-2.33,;8.95,-1.57,;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,;11.59,-4.65,)| Show InChI InChI=1S/C29H33NO/c1-21-13-14-22(2)26(19-21)20-31-29-25-15-17-30(18-16-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,25,27-29H,15-18,20H2,1-2H3	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	36	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))	BDBM50029857 (2-Benzhydryl-3-(3-fluoro-benzyloxy)-1-aza-bicyclo[...) Show SMILES Fc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;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,;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,;10.26,-2.33,)| Show InChI InChI=1S/C27H28FNO/c28-24-13-7-8-20(18-24)19-30-27-23-14-16-29(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,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	37	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

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