Compile Data Set for Download or QSAR

Found 625 hits with Last Name = 'tsu' and Initial = 'c'   

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))	BDBM50186527 ((R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)m...) Show SMILES C[C@@H](OCC1(CC(N)C1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,(-2.49,.49,;-2.49,-1.05,;-1.15,-1.81,;.18,-1.04,;1.52,-1.8,;.45,-2.91,;1.56,-3.98,;1.59,-5.52,;2.63,-2.87,;2.86,-1.02,;4.18,-1.79,;5.51,-1.03,;5.51,.51,;4.18,1.27,;2.85,.51,;-3.82,-1.82,;-5.15,-1.06,;-6.48,-1.83,;-6.48,-3.37,;-5.15,-4.14,;-3.81,-3.37,;-5.15,-5.68,;-6.7,-5.67,;-3.62,-5.68,;-5.14,-7.22,;-7.82,-1.06,;-7.05,.28,;-8.59,-2.39,;-9.15,-.29,)| Show InChI InChI=1S/C21H21F6NO/c1-13(14-7-16(20(22,23)24)9-17(8-14)21(25,26)27)29-12-19(10-18(28)11-19)15-5-3-2-4-6-15/h2-9,13,18H,10-12,28H2,1H3/t13-,18?,19?/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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186522 (CHEMBL379072 | trans-N-{3-[(R)-1-(3,5-bis-trifluor...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](C1)NC(C)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.8,wD:4.3,(.79,-3.02,;.8,-4.56,;2.13,-5.33,;3.46,-4.55,;4.8,-5.32,;3.73,-6.43,;4.84,-7.49,;5.91,-6.38,;4.88,-9.03,;3.56,-9.83,;3.59,-11.37,;2.21,-9.09,;6.13,-4.54,;7.46,-5.31,;8.79,-4.54,;8.78,-2.99,;7.44,-2.23,;6.11,-3.01,;-.54,-5.34,;-1.87,-4.57,;-3.2,-5.34,;-3.2,-6.89,;-1.87,-7.66,;-.53,-6.89,;-1.87,-9.2,;-3.41,-9.19,;-.33,-9.19,;-1.85,-10.74,;-4.53,-4.57,;-3.77,-3.24,;-5.31,-5.9,;-5.87,-3.8,)| Show InChI InChI=1S/C23H23F6NO2/c1-14(16-8-18(22(24,25)26)10-19(9-16)23(27,28)29)32-13-21(17-6-4-3-5-7-17)11-20(12-21)30-15(2)31/h3-10,14,20H,11-13H2,1-2H3,(H,30,31)/t14-,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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50550643 (CHEMBL4749207) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 20S constitutive proteasome beta 5 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLA-AMC as substra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01161 BindingDB Entry DOI: 10.7270/Q2K077W3
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328970 (CHEMBL1270066 | N-((3S,6S)-6-(((R)-1-(3,5-bis(trif...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)NC(C)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H26F6N2O2/c1-15(17-10-19(23(25,26)27)12-20(11-17)24(28,29)30)34-14-22(18-6-4-3-5-7-18)9-8-21(13-31-22)32-16(2)33/h3-7,10-12,15,21,31H,8-9,13-14H2,1-2H3,(H,32,33)/t15-,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	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328981 ((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](OC[C@]1(CC[C@H](CN1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F6N2O2/c1-14(16-9-18(22(24,25)26)11-19(10-16)23(27,28)29)33-13-21(17-5-3-2-4-6-17)8-7-15(12-31-21)20(30)32/h2-6,9-11,14-15,31H,7-8,12-13H2,1H3,(H2,30,32)/t14-,15-,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	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243425 (1-((3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(C[C@H](N2CCCC2=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H24F6N2O3/c1-15(16-10-18(24(26,27)28)12-19(11-16)25(29,30)31)36-14-23(17-6-3-2-4-7-17)13-20(22(35)32-23)33-9-5-8-21(33)34/h2-4,6-7,10-12,15,20H,5,8-9,13-14H2,1H3,(H,32,35)/t15-,20+,23-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243427 (1-((3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(C[C@H](N2CCCCC2=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F6N2O3/c1-16(17-11-19(25(27,28)29)13-20(12-17)26(30,31)32)37-15-24(18-7-3-2-4-8-18)14-21(23(36)33-24)34-10-6-5-9-22(34)35/h2-4,7-8,11-13,16,21H,5-6,9-10,14-15H2,1H3,(H,33,36)/t16-,21+,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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243428 (1-((3R,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](N2CCCCC2=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F6N2O3/c1-16(17-11-19(25(27,28)29)13-20(12-17)26(30,31)32)37-15-24(18-7-3-2-4-8-18)14-21(23(36)33-24)34-10-6-5-9-22(34)35/h2-4,7-8,11-13,16,21H,5-6,9-10,14-15H2,1H3,(H,33,36)/t16-,21-,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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328980 ((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F6N2O2/c1-14(16-9-18(22(24,25)26)11-19(10-16)23(27,28)29)33-13-21(17-5-3-2-4-6-17)8-7-15(12-31-21)20(30)32/h2-6,9-11,14-15,31H,7-8,12-13H2,1H3,(H2,30,32)/t14-,15+,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	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328973 (CHEMBL1270175 | N-((3S,6S)-6-(((R)-1-(3,5-bis(trif...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)NC(=O)C1CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N2O2/c1-16(18-11-20(25(27,28)29)13-21(12-18)26(30,31)32)36-15-24(19-5-3-2-4-6-19)10-9-22(14-33-24)34-23(35)17-7-8-17/h2-6,11-13,16-17,22,33H,7-10,14-15H2,1H3,(H,34,35)/t16-,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	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328974 (1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)N1CCCC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N2O2/c1-17(18-12-20(25(27,28)29)14-21(13-18)26(30,31)32)36-16-24(19-6-3-2-4-7-19)10-9-22(15-33-24)34-11-5-8-23(34)35/h2-4,6-7,12-14,17,22,33H,5,8-11,15-16H2,1H3/t17-,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	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328982 ((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES CNC(=O)[C@H]1CC[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1)c1ccccc1 |r| Show InChI InChI=1S/C24H26F6N2O2/c1-15(17-10-19(23(25,26)27)12-20(11-17)24(28,29)30)34-14-22(18-6-4-3-5-7-18)9-8-16(13-32-22)21(33)31-2/h3-7,10-12,15-16,32H,8-9,13-14H2,1-2H3,(H,31,33)/t15-,16+,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	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328979 (CHEMBL1270465 | N-((3S,6S)-6-(((R)-1-(3,5-bis(trif...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)N=C1NCCO1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,w:11.12| Show InChI InChI=1S/C25H27F6N3O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)36-15-23(18-5-3-2-4-6-18)8-7-21(14-33-23)34-22-32-9-10-35-22/h2-6,11-13,16,21,33H,7-10,14-15H2,1H3,(H,32,34)/t16-,21+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328972 (CHEMBL1270174 | N-((3S,6S)-6-(((R)-1-(3,5-bis(trif...) Show SMILES CCC(=O)N[C@H]1CC[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1)c1ccccc1 |r| Show InChI InChI=1S/C25H28F6N2O2/c1-3-22(34)33-21-9-10-23(32-14-21,18-7-5-4-6-8-18)15-35-16(2)17-11-19(24(26,27)28)13-20(12-17)25(29,30)31/h4-8,11-13,16,21,32H,3,9-10,14-15H2,1-2H3,(H,33,34)/t16-,21+,23-/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	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243337 (CHEMBL452270 | N-((3S,5S)-5-(((R)-1-(3,5-bis(trifl...) Show SMILES C[C@@H](OC[C@]1(C[C@H](NC(C)=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H22F6N2O3/c1-13(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)34-12-21(16-6-4-3-5-7-16)11-19(20(33)31-21)30-14(2)32/h3-10,13,19H,11-12H2,1-2H3,(H,30,32)(H,31,33)/t13-,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186528 (CHEMBL212112 | cis-1-{3-[(R)-1-(3,5-bis-trifluorom...) Show SMILES C[C@@H](OC[C@@]1(C[C@@H](C1)N1CCCC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,wD:6.8,4.3,(22.41,-39.62,;22.42,-41.16,;23.75,-41.93,;25.09,-41.15,;26.42,-41.92,;27.53,-42.98,;26.47,-44.1,;25.36,-43.03,;26.5,-45.64,;25.28,-46.57,;25.78,-48.02,;27.32,-47.99,;27.77,-46.52,;29.22,-46.01,;27.75,-41.14,;29.08,-41.91,;30.41,-41.14,;30.41,-39.6,;29.06,-38.83,;27.74,-39.61,;21.09,-41.94,;19.75,-41.17,;18.42,-41.95,;18.42,-43.49,;19.76,-44.26,;21.09,-43.49,;19.75,-45.8,;18.21,-45.79,;21.29,-45.8,;19.77,-47.34,;17.09,-41.18,;17.85,-39.84,;16.31,-42.51,;15.76,-40.4,)| Show InChI InChI=1S/C25H25F6NO2/c1-16(17-10-19(24(26,27)28)12-20(11-17)25(29,30)31)34-15-23(18-6-3-2-4-7-18)13-21(14-23)32-9-5-8-22(32)33/h2-4,6-7,10-12,16,21H,5,8-9,13-15H2,1H3/t16-,21-,23-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243376 (CHEMBL452532 | N-((3R,5S)-5-(((R)-1-(3,5-bis(trifl...) Show SMILES CCC(=O)N[C@@H]1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24F6N2O3/c1-3-20(33)31-19-12-22(32-21(19)34,16-7-5-4-6-8-16)13-35-14(2)15-9-17(23(25,26)27)11-18(10-15)24(28,29)30/h4-11,14,19H,3,12-13H2,1-2H3,(H,31,33)(H,32,34)/t14-,19-,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328988 ((S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CCCCN1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H23F6NO/c1-15(16-11-18(21(23,24)25)13-19(12-16)22(26,27)28)30-14-20(9-5-6-10-29-20)17-7-3-2-4-8-17/h2-4,7-8,11-13,15,29H,5-6,9-10,14H2,1H3/t15-,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186525 ((R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)m...) Show SMILES C[C@@H](OCC1(CC(C1)NCc1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,(17.4,-36.54,;17.4,-38.08,;18.74,-38.84,;20.07,-38.07,;21.41,-38.83,;20.34,-39.94,;21.45,-41.01,;22.52,-39.9,;21.48,-42.55,;20.17,-43.35,;20.2,-44.89,;18.88,-45.68,;18.91,-47.22,;20.26,-47.96,;21.59,-47.15,;21.55,-45.62,;22.74,-38.06,;24.06,-38.82,;25.39,-38.05,;25.39,-36.51,;24.04,-35.74,;22.72,-36.52,;16.07,-38.85,;14.74,-38.09,;13.41,-38.86,;13.4,-40.4,;14.74,-41.17,;16.08,-40.4,;14.74,-42.71,;13.19,-42.7,;16.27,-42.71,;14.75,-44.25,;12.07,-38.09,;12.83,-36.75,;11.29,-39.42,;10.74,-37.32,)| Show InChI InChI=1S/C28H27F6NO/c1-19(21-12-23(27(29,30)31)14-24(13-21)28(32,33)34)36-18-26(22-10-6-3-7-11-22)15-25(16-26)35-17-20-8-4-2-5-9-20/h2-14,19,25,35H,15-18H2,1H3/t19-,25?,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243375 (CHEMBL451765 | N-((3S,5S)-5-(((R)-1-(3,5-bis(trifl...) Show SMILES CCC(=O)N[C@H]1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24F6N2O3/c1-3-20(33)31-19-12-22(32-21(19)34,16-7-5-4-6-8-16)13-35-14(2)15-9-17(23(25,26)27)11-18(10-15)24(28,29)30/h4-11,14,19H,3,12-13H2,1-2H3,(H,31,33)(H,32,34)/t14-,19+,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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328978 (CHEMBL1270464 | N-((3S,6S)-6-(((R)-1-(3,5-bis(trif...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)Nc1ncccn1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F6N4O/c1-17(18-12-20(25(27,28)29)14-21(13-18)26(30,31)32)37-16-24(19-6-3-2-4-7-19)9-8-22(15-35-24)36-23-33-10-5-11-34-23/h2-7,10-14,17,22,35H,8-9,15-16H2,1H3,(H,33,34,36)/t17-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328986 ((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)C(=O)NC1CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N2O2/c1-16(18-11-20(25(27,28)29)13-21(12-18)26(30,31)32)36-15-24(19-5-3-2-4-6-19)10-9-17(14-33-24)23(35)34-22-7-8-22/h2-6,11-13,16-17,22,33H,7-10,14-15H2,1H3,(H,34,35)/t16-,17+,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	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328971 (CHEMBL1270067 | N-((3R,6S)-6-(((R)-1-(3,5-bis(trif...) Show SMILES C[C@@H](OC[C@]1(CC[C@H](CN1)NC(C)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H26F6N2O2/c1-15(17-10-19(23(25,26)27)12-20(11-17)24(28,29)30)34-14-22(18-6-4-3-5-7-18)9-8-21(13-31-22)32-16(2)33/h3-7,10-12,15,21,31H,8-9,13-14H2,1-2H3,(H,32,33)/t15-,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	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328984 ((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES CCNC(=O)[C@H]1CC[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1)c1ccccc1 |r| Show InChI InChI=1S/C25H28F6N2O2/c1-3-32-22(34)17-9-10-23(33-14-17,19-7-5-4-6-8-19)15-35-16(2)18-11-20(24(26,27)28)13-21(12-18)25(29,30)31/h4-8,11-13,16-17,33H,3,9-10,14-15H2,1-2H3,(H,32,34)/t16-,17+,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	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186520 (CHEMBL379520 | trans-1-{3-[(R)-1-(3,5-bis-trifluor...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](C1)N1CCCC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.8,wD:4.3,(-2.23,-39.04,;-2.22,-40.58,;-.89,-41.35,;.45,-40.57,;1.78,-41.34,;.72,-42.45,;1.83,-43.51,;2.89,-42.4,;1.86,-45.05,;.64,-45.99,;1.14,-47.44,;2.68,-47.41,;3.13,-45.93,;4.58,-45.43,;3.11,-40.56,;4.44,-41.33,;5.77,-40.55,;5.77,-39.01,;4.42,-38.25,;3.1,-39.03,;-3.55,-41.36,;-4.89,-40.59,;-6.22,-41.36,;-6.22,-42.91,;-4.88,-43.68,;-3.55,-42.91,;-4.89,-45.22,;-6.43,-45.2,;-3.35,-45.21,;-4.87,-46.76,;-7.55,-40.59,;-6.79,-39.25,;-8.33,-41.92,;-8.88,-39.82,)| Show InChI InChI=1S/C25H25F6NO2/c1-16(17-10-19(24(26,27)28)12-20(11-17)25(29,30)31)34-15-23(18-6-3-2-4-7-18)13-21(14-23)32-9-5-8-22(32)33/h2-4,6-7,10-12,16,21H,5,8-9,13-15H2,1H3/t16-,21-,23+/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243476 ((5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)eth...) Show SMILES C[C@@H](OC[C@]1(CC(N)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H20F6N2O2/c1-12(13-7-15(20(22,23)24)9-16(8-13)21(25,26)27)31-11-19(10-17(28)18(30)29-19)14-5-3-2-4-6-14/h2-9,12,17H,10-11,28H2,1H3,(H,29,30)/t12-,17?,19-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243474 ((3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](OC[C@]1(C[C@H](N2CCCC2)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-7-3-2-4-8-18)14-21(22(34)32-23)33-9-5-6-10-33/h2-4,7-8,11-13,16,21H,5-6,9-10,14-15H2,1H3,(H,32,34)/t16-,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186531 (CHEMBL379073 | cis-N-{3-[(R)-1-(3,5-bis-trifluorom...) Show SMILES C[C@@H](OC[C@@]1(C[C@@H](C1)NC(C)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,wD:6.8,4.3,(3.11,.86,;3.11,-.68,;4.45,-1.45,;5.78,-.67,;7.12,-1.44,;8.23,-2.5,;7.16,-3.61,;6.05,-2.55,;7.19,-5.15,;5.88,-5.95,;5.91,-7.49,;4.53,-5.21,;8.45,-.66,;9.78,-1.43,;11.11,-.65,;11.1,.89,;9.76,1.65,;8.43,.87,;1.78,-1.46,;.45,-.69,;-.88,-1.46,;-.88,-3.01,;.45,-3.78,;1.79,-3.01,;.45,-5.32,;-1.1,-5.3,;1.98,-5.31,;.46,-6.86,;-2.22,-.69,;-1.45,.65,;-2.99,-2.02,;-3.55,.08,)| Show InChI InChI=1S/C23H23F6NO2/c1-14(16-8-18(22(24,25)26)10-19(9-16)23(27,28)29)32-13-21(17-6-4-3-5-7-17)11-20(12-21)30-15(2)31/h3-10,14,20H,11-13H2,1-2H3,(H,30,31)/t14-,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328987 ((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](OC[C@]1(CC[C@H](CN1)C(=O)NC1CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N2O2/c1-16(18-11-20(25(27,28)29)13-21(12-18)26(30,31)32)36-15-24(19-5-3-2-4-6-19)10-9-17(14-33-24)23(35)34-22-7-8-22/h2-6,11-13,16-17,22,33H,7-10,14-15H2,1H3,(H,34,35)/t16-,17-,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186518 (CHEMBL210641 | cis-3-(((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](OC[C@@]1(C[C@](N)(C1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.9,wD:6.6,4.3,(6.13,1.85,;6.13,.31,;7.47,-.46,;8.8,.32,;10.14,-.45,;11.24,-1.52,;10.17,-2.63,;11.5,-3.39,;9.07,-1.56,;8.81,-3.36,;7.5,-2.54,;8.76,-4.9,;11.47,.33,;12.8,-.44,;14.12,.33,;14.12,1.87,;12.77,2.64,;11.45,1.86,;4.8,-.47,;4.81,-2.02,;3.47,-2.79,;2.13,-2.02,;2.14,-.47,;3.47,.3,;.8,.3,;1.56,1.63,;.02,-1.03,;-.54,1.07,;3.47,-4.33,;5,-4.32,;1.92,-4.32,;3.48,-5.87,)| Show InChI InChI=1S/C22H22F6N2O2/c1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(30,11-19)18(29)31/h2-9,13H,10-12,30H2,1H3,(H2,29,31)/t13-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243426 (1-((3R,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](N2CCCC2=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H24F6N2O3/c1-15(16-10-18(24(26,27)28)12-19(11-16)25(29,30)31)36-14-23(17-6-3-2-4-7-17)13-20(22(35)32-23)33-9-5-8-21(33)34/h2-4,6-7,10-12,15,20H,5,8-9,13-14H2,1H3,(H,32,35)/t15-,20-,23-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243475 ((5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)eth...) Show SMILES C[C@@H](OC[C@]1(CC(O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6NO3/c1-12(13-7-15(20(22,23)24)9-16(8-13)21(25,26)27)31-11-19(10-17(29)18(30)28-19)14-5-3-2-4-6-14/h2-9,12,17,29H,10-11H2,1H3,(H,28,30)/t12-,17?,19-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186530 ((R)-5-((3-((1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OCC1(CC(C1)NCc1n[nH]c(=O)[nH]1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,(6.12,-4.05,;6.12,-5.59,;7.46,-6.35,;8.79,-5.58,;10.13,-6.34,;9.06,-7.45,;10.17,-8.52,;11.24,-7.41,;10.2,-10.06,;8.89,-10.86,;8.92,-12.4,;7.68,-13.32,;8.19,-14.78,;9.73,-14.74,;10.67,-15.96,;10.17,-13.26,;11.46,-5.57,;12.79,-6.34,;14.12,-5.56,;14.11,-4.02,;12.77,-3.26,;11.44,-4.03,;4.79,-6.36,;3.46,-5.6,;2.13,-6.37,;2.13,-7.91,;3.46,-8.69,;4.8,-7.91,;3.46,-10.23,;1.91,-10.21,;4.99,-10.22,;3.47,-11.77,;.79,-5.6,;1.56,-4.26,;.02,-6.93,;-.54,-4.83,)| Show InChI InChI=1S/C24H24F6N4O2/c1-14(15-7-17(23(25,26)27)9-18(8-15)24(28,29)30)36-13-22(16-5-3-2-4-6-16)10-19(11-22)31-12-20-32-21(35)34-33-20/h2-9,14,19,31H,10-13H2,1H3,(H2,32,33,34,35)/t14-,19?,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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186523 (CHEMBL214194 | cis-3-(((R)-1-(3,5-bis(trifluoromet...) Show SMILES CNC(=O)[C@]1(N)C[C@@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |wU:10.10,4.3,wD:4.4,7.7,(-.65,-7.07,;.66,-6.27,;2.02,-7.01,;2.05,-8.55,;3.34,-6.21,;4.64,-7.01,;4.44,-5.13,;3.36,-4.03,;2.05,-3.23,;.7,-3.96,;-.61,-3.16,;-.58,-1.62,;-1.97,-3.89,;-2.01,-5.44,;-3.37,-6.18,;-4.68,-5.37,;-4.63,-3.82,;-3.28,-3.09,;-5.94,-3.01,;-5.14,-1.7,;-6.76,-4.32,;-7.26,-2.2,;-3.41,-7.71,;-1.88,-7.75,;-4.96,-7.66,;-3.44,-9.25,;2.26,-5.11,;4.72,-3.29,;6.02,-4.1,;7.38,-3.37,;7.42,-1.83,;6.09,-1.02,;4.75,-1.76,)| Show InChI InChI=1S/C23H24F6N2O2/c1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)/t14-,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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328983 ((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES CNC(=O)[C@@H]1CC[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1)c1ccccc1 |r| Show InChI InChI=1S/C24H26F6N2O2/c1-15(17-10-19(23(25,26)27)12-20(11-17)24(28,29)30)34-14-22(18-6-4-3-5-7-18)9-8-16(13-32-22)21(33)31-2/h3-7,10-12,15-16,32H,8-9,13-14H2,1-2H3,(H,31,33)/t15-,16-,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	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328976 (1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)N1CCNC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H27F6N3O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)36-15-23(18-5-3-2-4-6-18)8-7-21(14-33-23)34-10-9-32-22(34)35/h2-6,11-13,16,21,33H,7-10,14-15H2,1H3,(H,32,35)/t16-,21+,23-/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	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177387 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CNC(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N2O2/c1-12(13-7-15(19(21,22)23)9-16(8-13)20(24,25)26)30-11-18(10-27-17(29)28-18)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/t12-,18-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243373 (CHEMBL451763 | N-((3S,5S)-5-(((R)-1-(3,5-bis(trifl...) Show SMILES C[C@@H](OC[C@]1(C[C@H](NS(C)(=O)=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H22F6N2O4S/c1-13(14-8-16(21(23,24)25)10-17(9-14)22(26,27)28)34-12-20(15-6-4-3-5-7-15)11-18(19(31)29-20)30-35(2,32)33/h3-10,13,18,30H,11-12H2,1-2H3,(H,29,31)/t13-,18+,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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243264 ((S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CCC(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6NO2/c1-13(14-9-16(20(22,23)24)11-17(10-14)21(25,26)27)30-12-19(8-7-18(29)28-19)15-5-3-2-4-6-15/h2-6,9-11,13H,7-8,12H2,1H3,(H,28,29)/t13-,19-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328975 (1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)NC(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H25F6N3O2/c1-14(15-9-17(22(24,25)26)11-18(10-15)23(27,28)29)34-13-21(16-5-3-2-4-6-16)8-7-19(12-31-21)32-20(30)33/h2-6,9-11,14,19,31H,7-8,12-13H2,1H3,(H3,30,32,33)/t14-,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	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243335 ((3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](OC[C@]1(C[C@H](C)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H21F6NO2/c1-13-11-20(29-19(13)30,16-6-4-3-5-7-16)12-31-14(2)15-8-17(21(23,24)25)10-18(9-15)22(26,27)28/h3-10,13-14H,11-12H2,1-2H3,(H,29,30)/t13-,14+,20+/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243338 (CHEMBL452271 | N-((3R,5S)-5-(((R)-1-(3,5-bis(trifl...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](NC(C)=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H22F6N2O3/c1-13(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)34-12-21(16-6-4-3-5-7-16)11-19(20(33)31-21)30-14(2)32/h3-10,13,19H,11-12H2,1-2H3,(H,30,32)(H,31,33)/t13-,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	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067971 (2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCCCN2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(8-4-5-9-28-19)16-6-2-1-3-7-16/h1-3,6-7,10-12,28H,4-5,8-9,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186519 (CHEMBL214388 | trans-3-(((R)-1-(3,5-bis(trifluorom...) Show SMILES CNC(=O)[C@]1(N)C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1 |wU:10.10,4.4,wD:7.7,4.3,(1.54,-7.56,;2.89,-6.83,;4.2,-7.65,;4.16,-9.18,;5.57,-6.91,;6.89,-7.68,;4.46,-5.84,;5.53,-4.73,;4.19,-3.97,;2.86,-4.74,;1.53,-3.98,;1.52,-2.44,;.2,-4.75,;.2,-6.3,;-1.14,-7.08,;-2.47,-6.3,;-2.47,-4.76,;-1.14,-3.99,;-3.8,-3.99,;-3.04,-2.65,;-4.58,-5.32,;-5.14,-3.22,;-1.14,-8.62,;.4,-8.61,;-2.68,-8.61,;-1.12,-10.16,;6.64,-5.8,;6.86,-3.96,;8.19,-4.73,;9.52,-3.95,;9.52,-2.41,;8.17,-1.65,;6.85,-2.42,)| Show InChI InChI=1S/C23H24F6N2O2/c1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)/t14-,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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186521 (CHEMBL210591 | trans-3-(((R)-1-(3,5-bis(trifluorom...) Show SMILES C[C@@H](OC[C@]1(C[C@](N)(C1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.6,wD:4.3,6.9,(-.21,1.61,;-.21,.07,;1.13,-.69,;2.46,.08,;3.8,-.68,;2.73,-1.79,;3.83,-2.86,;5.16,-3.62,;4.9,-1.75,;2.47,-3.59,;1.16,-2.77,;2.41,-5.12,;5.13,.09,;6.46,-.67,;7.79,.1,;7.78,1.64,;6.44,2.41,;5.11,1.63,;-1.54,-.7,;-1.53,-2.25,;-2.87,-3.02,;-4.2,-2.25,;-4.2,-.71,;-2.87,.06,;-5.54,.06,;-4.78,1.4,;-6.32,-1.27,;-6.88,.83,;-2.87,-4.56,;-1.34,-4.56,;-4.42,-4.56,;-2.86,-6.1,)| Show InChI InChI=1S/C22H22F6N2O2/c1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(30,11-19)18(29)31/h2-9,13H,10-12,30H2,1H3,(H2,29,31)/t13-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328977 (CHEMBL1270371 | N-((3S,6S)-6-(((R)-1-(3,5-bis(trif...) Show SMILES C[C@@H](OC[C@]1(CC[C@@H](CN1)NS(C)(=O)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H26F6N2O3S/c1-15(16-10-18(22(24,25)26)12-19(11-16)23(27,28)29)34-14-21(17-6-4-3-5-7-17)9-8-20(13-30-21)31-35(2,32)33/h3-7,10-12,15,20,30-31H,8-9,13-14H2,1-2H3/t15-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50328985 ((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES CCNC(=O)[C@@H]1CC[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1)c1ccccc1 |r| Show InChI InChI=1S/C25H28F6N2O2/c1-3-32-22(34)17-9-10-23(33-14-17,19-7-5-4-6-8-19)15-35-16(2)18-11-20(24(26,27)28)13-21(12-18)25(29,30)31/h4-8,11-13,16-17,33H,3,9-10,14-15H2,1-2H3,(H,32,34)/t16-,17-,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	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186524 (CHEMBL378027 | trans-3-(((R)-1-(3,5-bis(trifluorom...) Show SMILES C[C@@H](OC[C@]1(C[C@](N)(C1)C(=O)N1CCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.6,wD:4.3,6.9,(1.06,-4.39,;1.07,-5.93,;2.4,-6.7,;3.74,-5.92,;5.07,-6.69,;4,-7.79,;5.11,-8.86,;6.43,-9.63,;6.18,-7.76,;3.77,-9.64,;3.77,-11.18,;2.43,-8.87,;2.26,-7.35,;.76,-7.03,;-.01,-8.37,;1.02,-9.51,;6.4,-5.91,;7.73,-6.68,;9.06,-5.9,;9.06,-4.36,;7.71,-3.6,;6.39,-4.38,;-.26,-6.71,;-.26,-8.26,;-1.59,-9.03,;-2.93,-8.26,;-2.93,-6.71,;-1.6,-5.94,;-4.26,-5.94,;-3.5,-4.6,;-5.04,-7.27,;-5.6,-5.17,;-1.6,-10.57,;-.06,-10.56,;-3.14,-10.56,;-1.58,-12.11,)| Show InChI InChI=1S/C26H28F6N2O2/c1-17(18-11-20(25(27,28)29)13-21(12-18)26(30,31)32)36-16-23(19-7-3-2-4-8-19)14-24(33,15-23)22(35)34-9-5-6-10-34/h2-4,7-8,11-13,17H,5-6,9-10,14-16,33H2,1H3/t17-,23-,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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50186526 (CHEMBL377242 | trans-3-(((R)-1-(3,5-bis(trifluorom...) Show SMILES C[C@@H](OC[C@]1(C[C@](N)(C1)C(=O)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.6,wD:4.3,6.9,(1.32,-2.59,;1.32,-4.13,;2.66,-4.89,;3.99,-4.12,;5.33,-4.88,;4.26,-5.99,;5.37,-7.06,;4.26,-8.14,;6.44,-5.95,;6.71,-7.81,;6.72,-9.35,;8.03,-7.03,;9.37,-7.79,;10.69,-7.02,;10.68,-5.48,;9.34,-4.72,;8.01,-5.5,;6.66,-4.11,;7.99,-4.87,;9.32,-4.1,;9.31,-2.56,;7.97,-1.79,;6.64,-2.57,;-.01,-4.9,;-0,-6.45,;-1.34,-7.22,;-2.67,-6.45,;-2.67,-4.91,;-1.34,-4.14,;-4,-4.14,;-3.24,-2.8,;-4.78,-5.47,;-5.34,-3.37,;-1.34,-8.76,;.19,-8.76,;-2.89,-8.76,;-1.33,-10.3,)| Show InChI InChI=1S/C27H30F6N2O2/c1-18(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)37-17-24(20-8-4-2-5-9-20)15-25(34,16-24)23(36)35-10-6-3-7-11-35/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15-17,34H2,1H3/t18-,24-,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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50243336 ((3R,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](C)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H21F6NO2/c1-13-11-20(29-19(13)30,16-6-4-3-5-7-16)12-31-14(2)15-8-17(21(23,24)25)10-18(9-15)22(26,27)28/h3-10,13-14H,11-12H2,1-2H3,(H,29,30)/t13-,14-,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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 4168-71 (2008) Article DOI: 10.1016/j.bmcl.2008.05.082 BindingDB Entry DOI: 10.7270/Q2D79B7F
					More data for this Ligand-Target Pair

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