Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'rupniak' and Initial = 'nm'   

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))	BDBM50067933 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) Show SMILES Fc1ccc(cc1)[C@H]1[C@@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)OCCN1Cc1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C22H19F7N4O3/c23-16-3-1-13(2-4-16)18-19(35-6-5-33(18)10-17-30-20(34)32-31-17)36-11-12-7-14(21(24,25)26)9-15(8-12)22(27,28)29/h1-4,7-9,18-19H,5-6,10-11H2,(H2,30,31,32,34)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					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))	BDBM50408664 (GR-205171 | VOFOPITANT) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220136 (3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220136 (3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220136 (3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description compounds were evaluated for inhibitory activity against human Tachykinin receptor 1				J Med Chem 43: 1234-41 (2000) BindingDB Entry DOI: 10.7270/Q2G73CZM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067940 (5-{(2R,3S)-2-[(S)-1-(3,5-Bis-trifluoromethyl-pheny...) Show SMILES C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F6N4O3/c1-13(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)36-20-19(14-5-3-2-4-6-14)33(7-8-35-20)12-18-30-21(34)32-31-18/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H2,30,31,32,34)/t13-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049469 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) Show SMILES FC(F)(F)c1cc(CO[C@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H20F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-35-19-18(14-4-2-1-3-5-14)32(6-7-34-19)11-17-29-20(33)31-30-17/h1-5,8-10,18-19H,6-7,11-12H2,(H2,29,30,31,33)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106711 (5-[2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3...) Show SMILES C[C@@H](OC1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20?/m1/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067939 (5-{(2R,3S)-2-[(R)-1-(3-Fluoro-5-trifluoromethyl-ph...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(F)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H22F4N4O3/c1-13(15-9-16(22(24,25)26)11-17(23)10-15)33-20-19(14-5-3-2-4-6-14)30(7-8-32-20)12-18-27-21(31)29-28-18/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H2,27,28,29,31)/t13-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					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))	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))	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))	BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191091 ((S)-5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)C[C@@H]1CCC(=O)N1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H31F7N2O2/c1-16(18-12-19(27(30,31)32)14-20(13-18)28(33,34)35)39-24-10-9-23(26(24)17-4-6-21(29)7-5-17)36(2)15-22-8-11-25(38)37(22)3/h4-7,12-14,16,22-24,26H,8-11,15H2,1-3H3/t16-,22+,23-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191087 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES CCN(Cc1nnc[nH]1)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C26H27F7N4O/c1-3-37(13-23-34-14-35-36-23)21-8-9-22(24(21)16-4-6-20(27)7-5-16)38-15(2)17-10-18(25(28,29)30)12-19(11-17)26(31,32)33/h4-7,10-12,14-15,21-22,24H,3,8-9,13H2,1-2H3,(H,34,35,36)/t15-,21-,22+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191092 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1nnc[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H25F7N4O/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)37-21-8-7-20(36(2)12-22-33-13-34-35-22)23(21)15-3-5-19(26)6-4-15/h3-6,9-11,13-14,20-21,23H,7-8,12H2,1-2H3,(H,33,34,35)/t14-,20-,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191079 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES COCCN(CC(N)=O)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C26H29F7N2O3/c1-15(17-11-18(25(28,29)30)13-19(12-17)26(31,32)33)38-22-8-7-21(35(9-10-37-2)14-23(34)36)24(22)16-3-5-20(27)6-4-16/h3-6,11-13,15,21-22,24H,7-10,14H2,1-2H3,(H2,34,36)/t15-,21-,22+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106712 (4-(5-Azetidin-1-ylmethyl-1H-[1,2,3]triazol-4-ylmet...) Show SMILES C[C@@H](OC1OCCN(Cc2[nH]nnc2CN2CCC2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H28F7N5O2/c1-16(18-11-19(26(29,30)31)13-20(12-18)27(32,33)34)41-25-24(17-3-5-21(28)6-4-17)39(9-10-40-25)15-23-22(35-37-36-23)14-38-7-2-8-38/h3-6,11-13,16,24-25H,2,7-10,14-15H2,1H3,(H,35,36,37)/t16-,24+,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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106717 (CHEMBL553778 | {5-[2-[1-(3,5-Bis-trifluoromethyl-p...) Show SMILES C[C@@H](OC1OCCN(Cc2[nH]nnc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191095 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H25F7N2O2/c1-13(15-9-16(23(26,27)28)11-17(10-15)24(29,30)31)35-20-8-7-19(33(2)12-21(32)34)22(20)14-3-5-18(25)6-4-14/h3-6,9-11,13,19-20,22H,7-8,12H2,1-2H3,(H2,32,34)/t13-,19-,20+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191107 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES CNC(=O)CN(C)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C25H27F7N2O2/c1-14(16-10-17(24(27,28)29)12-18(11-16)25(30,31)32)36-21-9-8-20(34(3)13-22(35)33-2)23(21)15-4-6-19(26)7-5-15/h4-7,10-12,14,20-21,23H,8-9,13H2,1-3H3,(H,33,35)/t14-,20-,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191081 ((S)-5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)C[C@@H]1CCC(=O)N1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H29F7N2O2/c1-15(17-11-18(26(29,30)31)13-19(12-17)27(32,33)34)38-23-9-8-22(25(23)16-3-5-20(28)6-4-16)36(2)14-21-7-10-24(37)35-21/h3-6,11-13,15,21-23,25H,7-10,14H2,1-2H3,(H,35,37)/t15-,21+,22-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50409466 (CHEMBL2112743) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2[nH]nnc2CN2CCCC2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H30F7N5O2/c1-17(19-12-20(27(30,31)32)14-21(13-19)28(33,34)35)42-26-25(18-4-6-22(29)7-5-18)40(10-11-41-26)16-24-23(36-38-37-24)15-39-8-2-3-9-39/h4-7,12-14,17,25-26H,2-3,8-11,15-16H2,1H3,(H,36,37,38)/t17-,25+,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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191082 (5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1n[nH]c(=O)[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H25F7N4O2/c1-13(15-9-16(24(27,28)29)11-17(10-15)25(30,31)32)38-20-8-7-19(22(20)14-3-5-18(26)6-4-14)36(2)12-21-33-23(37)35-34-21/h3-6,9-11,13,19-20,22H,7-8,12H2,1-2H3,(H2,33,34,35,37)/t13-,19-,20+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191099 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES CCN(CC(N)=O)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C25H27F7N2O2/c1-3-34(13-22(33)35)20-8-9-21(23(20)15-4-6-19(26)7-5-15)36-14(2)16-10-17(24(27,28)29)12-18(11-16)25(30,31)32/h4-7,10-12,14,20-21,23H,3,8-9,13H2,1-2H3,(H2,33,35)/t14-,20-,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191086 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES CN[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C22H22F7NO/c1-12(14-9-15(21(24,25)26)11-16(10-14)22(27,28)29)31-19-8-7-18(30-2)20(19)13-3-5-17(23)6-4-13/h3-6,9-12,18-20,30H,7-8H2,1-2H3/t12-,18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50409465 (CHEMBL2112741) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2[nH]nnc2CN)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F7N5O2/c1-13(15-8-16(23(26,27)28)10-17(9-15)24(29,30)31)38-22-21(14-2-4-18(25)5-3-14)36(6-7-37-22)12-20-19(11-32)33-35-34-20/h2-5,8-10,13,21-22H,6-7,11-12,32H2,1H3,(H,33,34,35)/t13-,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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191106 ((R)-5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)C[C@H]1CCC(=O)N1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H29F7N2O2/c1-15(17-11-18(26(29,30)31)13-19(12-17)27(32,33)34)38-23-9-8-22(25(23)16-3-5-20(28)6-4-16)36(2)14-21-7-10-24(37)35-21/h3-6,11-13,15,21-23,25H,7-10,14H2,1-2H3,(H,35,37)/t15-,21-,22-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191096 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES CCN[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C23H24F7NO/c1-3-31-19-8-9-20(21(19)14-4-6-18(24)7-5-14)32-13(2)15-10-16(22(25,26)27)12-17(11-15)23(28,29)30/h4-7,10-13,19-21,31H,3,8-9H2,1-2H3/t13-,19-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191085 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES COCCN[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C24H26F7NO2/c1-14(16-11-17(23(26,27)28)13-18(12-16)24(29,30)31)34-21-8-7-20(32-9-10-33-2)22(21)15-3-5-19(25)6-4-15/h3-6,11-14,20-22,32H,7-10H2,1-2H3/t14-,20-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191104 (CHEMBL214748 | N-((1R,2S,3S)-3-((R)-1-(3,5-bis(tri...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)C(=O)Cc1cnc[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H26F7N3O2/c1-15(17-9-18(26(29,30)31)11-19(10-17)27(32,33)34)39-23-8-7-22(25(23)16-3-5-20(28)6-4-16)37(2)24(38)12-21-13-35-14-36-21/h3-6,9-11,13-15,22-23,25H,7-8,12H2,1-2H3,(H,35,36)/t15-,22-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067938 (5-{(2R,3S)-3-Phenyl-2-[(R)-1-(3-trifluoromethyl-ph...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O3/c1-14(16-8-5-9-17(12-16)22(23,24)25)32-20-19(15-6-3-2-4-7-15)29(10-11-31-20)13-18-26-21(30)28-27-18/h2-9,12,14,19-20H,10-11,13H2,1H3,(H2,26,27,28,30)/t14-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191102 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N(C)CCO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H31F7N2O3/c1-16(18-12-19(26(29,30)31)14-20(13-18)27(32,33)34)39-23-9-8-22(25(23)17-4-6-21(28)7-5-17)36(3)15-24(38)35(2)10-11-37/h4-7,12-14,16,22-23,25,37H,8-11,15H2,1-3H3/t16-,22-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106716 (CHEMBL133140 | {5-[2-[1-(3,5-Bis-trifluoromethyl-p...) Show SMILES CNCc1nn[nH]c1CN1CCOC(O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 Show InChI InChI=1S/C25H26F7N5O2/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)39-23-22(15-3-5-19(26)6-4-15)37(7-8-38-23)13-21-20(12-33-2)34-36-35-21/h3-6,9-11,14,22-23,33H,7-8,12-13H2,1-2H3,(H,34,35,36)/t14-,22+,23?/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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191105 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES COCCNC(=O)CN(C)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C27H31F7N2O3/c1-16(18-12-19(26(29,30)31)14-20(13-18)27(32,33)34)39-23-9-8-22(25(23)17-4-6-21(28)7-5-17)36(2)15-24(37)35-10-11-38-3/h4-7,12-14,16,22-23,25H,8-11,15H2,1-3H3,(H,35,37)/t16-,22-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					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))	BDBM50191083 ((S)-5-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluorometh...) Show SMILES C[C@@H](O[C@H]1CC[C@@H](NC[C@@H]2CCC(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H27F7N2O2/c1-14(16-10-17(25(28,29)30)12-18(11-16)26(31,32)33)37-22-8-7-21(34-13-20-6-9-23(36)35-20)24(22)15-2-4-19(27)5-3-15/h2-5,10-12,14,20-22,24,34H,6-9,13H2,1H3,(H,35,36)/t14-,20+,21-,22+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					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))	BDBM50409467 (CHEMBL2112742) Show SMILES CC(C)N(Cc1nn[nH]c1CN1CCO[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C30H36F7N5O2/c1-17(2)42(18(3)4)16-26-25(38-40-39-26)15-41-10-11-43-28(27(41)20-6-8-24(31)9-7-20)44-19(5)21-12-22(29(32,33)34)14-23(13-21)30(35,36)37/h6-9,12-14,17-19,27-28H,10-11,15-16H2,1-5H3,(H,38,39,40)/t19-,27+,28-/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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191078 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N1CCOCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H31F7N2O3/c1-17(19-13-20(27(30,31)32)15-21(14-19)28(33,34)35)40-24-8-7-23(26(24)18-3-5-22(29)6-4-18)36(2)16-25(38)37-9-11-39-12-10-37/h3-6,13-15,17,23-24,26H,7-12,16H2,1-2H3/t17-,23-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191103 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H29F7N2O2/c1-15(17-11-18(25(28,29)30)13-19(12-17)26(31,32)33)37-22-10-9-21(35(4)14-23(36)34(2)3)24(22)16-5-7-20(27)8-6-16/h5-8,11-13,15,21-22,24H,9-10,14H2,1-4H3/t15-,21-,22+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191098 (2-((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)ph...) Show SMILES C[C@@H](O[C@H]1CC[C@@H](NCC(N)=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H23F7N2O2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)34-19-7-6-18(32-11-20(31)33)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21,32H,6-7,11H2,1H3,(H2,31,33)/t12-,18-,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191080 (4-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1c[nH]c(=O)[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H26F7N3O2/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)38-22-8-7-21(23(22)15-3-5-19(27)6-4-15)36(2)13-20-12-34-24(37)35-20/h3-6,9-12,14,21-23H,7-8,13H2,1-2H3,(H2,34,35,37)/t14-,21-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191089 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N1CCCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H31F7N2O2/c1-17(19-13-20(27(30,31)32)15-21(14-19)28(33,34)35)39-24-10-9-23(26(24)18-5-7-22(29)8-6-18)36(2)16-25(38)37-11-3-4-12-37/h5-8,13-15,17,23-24,26H,3-4,9-12,16H2,1-2H3/t17-,23-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030332 ((R)-(2-Methoxy-benzyl)-((S)-2-phenyl-piperidin-3-y...) Show SMILES COc1ccccc1CNC1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191100 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES COCCN(C)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C25H28F7NO2/c1-15(17-12-18(24(27,28)29)14-19(13-17)25(30,31)32)35-22-9-8-21(33(2)10-11-34-3)23(22)16-4-6-20(26)7-5-16/h4-7,12-15,21-23H,8-11H2,1-3H3/t15-,21-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191101 ((1R,2S,3S)-N-((1H-imidazol-2-yl)methyl)-3-((R)-1-(...) Show SMILES C[C@@H](O[C@H]1CC[C@@H](NCc2ncc[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H24F7N3O/c1-14(16-10-17(24(27,28)29)12-18(11-16)25(30,31)32)36-21-7-6-20(35-13-22-33-8-9-34-22)23(21)15-2-4-19(26)5-3-15/h2-5,8-12,14,20-21,23,35H,6-7,13H2,1H3,(H,33,34)/t14-,20-,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191088 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1CC[C@@H](NCc2cccnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H25F7N2O/c1-16(19-11-20(26(29,30)31)13-21(12-19)27(32,33)34)37-24-9-8-23(36-15-17-3-2-10-35-14-17)25(24)18-4-6-22(28)7-5-18/h2-7,10-14,16,23-25,36H,8-9,15H2,1H3/t16-,23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191090 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES COCCN(C)C(=O)CN(C)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C28H33F7N2O3/c1-17(19-13-20(27(30,31)32)15-21(14-19)28(33,34)35)40-24-10-9-23(26(24)18-5-7-22(29)8-6-18)37(3)16-25(38)36(2)11-12-39-4/h5-8,13-15,17,23-24,26H,9-12,16H2,1-4H3/t17-,23-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair

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