Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50031455   

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))	BDBM50234162 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/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 Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313630 ((6R,7S,7aS)-2-((1H-pyrazol-5-yl)methylamino)-6-((R...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(NCc3ccn[nH]3)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-23-13-38-22(24(23)15-2-4-19(28)5-3-15)11-21(25(38)39)35-12-20-6-7-36-37-20/h2-10,14,21-24,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,23+,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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313629 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C2=O)n2cnnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N4O2/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)38-21-10-36-19(22(21)14-2-4-18(26)5-3-14)9-20(23(36)37)35-11-33-34-12-35/h2-8,11-13,19-22H,9-10H2,1H3/t13-,19+,20?,21+,22+/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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313629 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C2=O)n2cnnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N4O2/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)38-21-10-36-19(22(21)14-2-4-18(26)5-3-14)9-20(23(36)37)35-11-33-34-12-35/h2-8,11-13,19-22H,9-10H2,1H3/t13-,19+,20?,21+,22+/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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313620 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@H]([C@@H]1c1ccc(F)cc1)C(C)(O)CC2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-18-11-32-19(33)10-22(2,34)21(32)20(18)13-3-5-17(25)6-4-13/h3-9,12,18,20-21,34H,10-11H2,1-2H3/t12-,18+,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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313622 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(CC2=O)n2cnnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N4O2/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)38-20-10-36-21(37)9-19(35-11-33-34-12-35)23(36)22(20)14-2-4-18(26)5-3-14/h2-8,11-13,19-20,22-23H,9-10H2,1H3/t13-,19?,20+,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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313620 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@H]([C@@H]1c1ccc(F)cc1)C(C)(O)CC2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-18-11-32-19(33)10-22(2,34)21(32)20(18)13-3-5-17(25)6-4-13/h3-9,12,18,20-21,34H,10-11H2,1-2H3/t12-,18+,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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313624 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313621 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@H]([C@@H]1c1ccc(F)cc1)C(C)(N)CC2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H23F7N2O2/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-18-11-33-19(34)10-22(2,32)21(33)20(18)13-3-5-17(25)6-4-13/h3-9,12,18,20-21H,10-11,32H2,1-2H3/t12-,18+,20-,21-,22?/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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(O)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-31-19(33)9-17(32)21(31)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21,32H,9-10H2,1H3/t11-,17?,18+,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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(O)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-31-19(33)9-17(32)21(31)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21,32H,9-10H2,1H3/t11-,17?,18+,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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313624 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313624 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313623 ((6R,7S,7aR)-1-((1H-pyrazol-5-yl)methylamino)-6-((R...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(CC2=O)NCc2ccn[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-22-13-38-23(39)11-21(35-12-20-6-7-36-37-20)25(38)24(22)15-2-4-19(28)5-3-15/h2-10,14,21-22,24-25,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313631 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(NCc3[nH]nnc3CN(C)C)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H31F7N6O2/c1-15(17-8-18(28(31,32)33)10-19(9-17)29(34,35)36)44-25-14-42-24(26(25)16-4-6-20(30)7-5-16)11-21(27(42)43)37-12-22-23(13-41(2)3)39-40-38-22/h4-10,15,21,24-26,37H,11-14H2,1-3H3,(H,38,39,40)/t15-,21?,24+,25+,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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313627 ((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313627 ((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313625 (1-((2R,3S,4R)-4-((R)-1-(3,5-bis(trifluoromethyl)ph...) Show SMILES C[C@@H](O[C@H]1CN([C@@H](CO)[C@@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H22F7NO3/c1-12(15-7-16(22(25,26)27)9-17(8-15)23(28,29)30)34-20-10-31(13(2)33)19(11-32)21(20)14-3-5-18(24)6-4-14/h3-9,12,19-21,32H,10-11H2,1-2H3/t12-,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313621 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@H]([C@@H]1c1ccc(F)cc1)C(C)(N)CC2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H23F7N2O2/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-18-11-33-19(34)10-22(2,32)21(33)20(18)13-3-5-17(25)6-4-13/h3-9,12,18,20-21H,10-11,32H2,1-2H3/t12-,18+,20-,21-,22?/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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313624 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313624 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313624 ((6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-32-19(33)9-17(31)21(32)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21H,9-10,31H2,1H3/t11-,17?,18+,20-,21+/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	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313622 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(CC2=O)n2cnnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N4O2/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)38-20-10-36-21(37)9-19(35-11-33-34-12-35)23(36)22(20)14-2-4-18(26)5-3-14/h2-8,11-13,19-20,22-23H,9-10H2,1H3/t13-,19?,20+,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	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313630 ((6R,7S,7aS)-2-((1H-pyrazol-5-yl)methylamino)-6-((R...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(NCc3ccn[nH]3)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-23-13-38-22(24(23)15-2-4-19(28)5-3-15)11-21(25(38)39)35-12-20-6-7-36-37-20/h2-10,14,21-24,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,23+,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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313620 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@H]([C@@H]1c1ccc(F)cc1)C(C)(O)CC2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-18-11-32-19(33)10-22(2,34)21(32)20(18)13-3-5-17(25)6-4-13/h3-9,12,18,20-21,34H,10-11H2,1-2H3/t12-,18+,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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313620 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@H]([C@@H]1c1ccc(F)cc1)C(C)(O)CC2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-18-11-32-19(33)10-22(2,34)21(32)20(18)13-3-5-17(25)6-4-13/h3-9,12,18,20-21,34H,10-11H2,1-2H3/t12-,18+,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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313631 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(NCc3[nH]nnc3CN(C)C)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H31F7N6O2/c1-15(17-8-18(28(31,32)33)10-19(9-17)29(34,35)36)44-25-14-42-24(26(25)16-4-6-20(30)7-5-16)11-21(27(42)43)37-12-22-23(13-41(2)3)39-40-38-22/h4-10,15,21,24-26,37H,11-14H2,1-3H3,(H,38,39,40)/t15-,21?,24+,25+,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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313629 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C2=O)n2cnnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N4O2/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)38-21-10-36-19(22(21)14-2-4-18(26)5-3-14)9-20(23(36)37)35-11-33-34-12-35/h2-8,11-13,19-22H,9-10H2,1H3/t13-,19+,20?,21+,22+/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313623 ((6R,7S,7aR)-1-((1H-pyrazol-5-yl)methylamino)-6-((R...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(CC2=O)NCc2ccn[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-22-13-38-23(39)11-21(35-12-20-6-7-36-37-20)25(38)24(22)15-2-4-19(28)5-3-15/h2-10,14,21-22,24-25,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,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	1.83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313629 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C2=O)n2cnnc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N4O2/c1-13(15-6-16(24(27,28)29)8-17(7-15)25(30,31)32)38-21-10-36-19(22(21)14-2-4-18(26)5-3-14)9-20(23(36)37)35-11-33-34-12-35/h2-8,11-13,19-22H,9-10H2,1H3/t13-,19+,20?,21+,22+/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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313627 ((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313627 ((6R,7S,7aS)-2-amino-6-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(N)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N2O2/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-32-18(9-17(31)21(32)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20H,9-10,31H2,1H3/t11-,17?,18+,19+,20+/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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(O)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-31-19(33)9-17(32)21(31)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21,32H,9-10H2,1H3/t11-,17?,18+,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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(O)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-18-10-31-19(33)9-17(32)21(31)20(18)12-2-4-16(24)5-3-12/h2-8,11,17-18,20-21,32H,9-10H2,1H3/t11-,17?,18+,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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50234162 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/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 Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313625 (1-((2R,3S,4R)-4-((R)-1-(3,5-bis(trifluoromethyl)ph...) Show SMILES C[C@@H](O[C@H]1CN([C@@H](CO)[C@@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H22F7NO3/c1-12(15-7-16(22(25,26)27)9-17(8-15)23(28,29)30)34-20-10-31(13(2)33)19(11-32)21(20)14-3-5-18(24)6-4-14/h3-9,12,19-21,32H,10-11H2,1-2H3/t12-,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	43.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair