Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'hargreaves' and Initial = 'rj'   

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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440788 (CHEMBL2431249) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H32F2N6O3/c1-30(20-11-21(33)13-22(34)12-20)18-39(2)32(7-3-4-8-32)29(43)40(30)17-26(41)37-23-10-19-14-31(15-25(19)36-16-23)24-6-5-9-35-27(24)38-28(31)42/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3,(H,37,41)(H,35,38,42)/t30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440782 (CHEMBL2431246) Show SMILES CN1C[C@](C)(N(CC#Cc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H31F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440784 (CHEMBL2431253) Show SMILES CN1C[C@](C)(N(C\C=C\c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5-8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/b7-6+/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50356282 (CHEMBL1910936) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440791 (CHEMBL2431256) Show SMILES CN1C[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H29F2N5O3/c1-29(2)28(40)37(24(15-36(29)3)18-9-20(31)12-21(32)10-18)16-25(38)34-22-7-6-17-13-30(14-19(17)11-22)23-5-4-8-33-26(23)35-27(30)39/h4-12,24H,13-16H2,1-3H3,(H,34,38)(H,33,35,39)/t24-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440793 (CHEMBL2431254) Show SMILES CC1(C)NC[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H27F2N5O3/c1-28(2)27(39)36(23(14-33-28)17-8-19(30)11-20(31)9-17)15-24(37)34-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-32-25(22)35-26(29)38/h3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)/t23-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50385314 (CHEMBL2035981) Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440786 (CHEMBL2431251) Show SMILES CN1C[C@](C)(N(CCCc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H35F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,6-7,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440789 (CHEMBL2431248) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440790 (CHEMBL2431247) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H31F2N5O3/c1-29(2)28(41)38(30(3,17-37(29)4)20-11-21(32)13-22(33)12-20)16-25(39)35-23-8-7-18-14-31(15-19(18)10-23)24-6-5-9-34-26(24)36-27(31)40/h5-13H,14-17H2,1-4H3,(H,35,39)(H,34,36,40)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440785 (CHEMBL2431252) Show SMILES CN1C[C@](C)(N(C\C=C\c2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H34F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/b7-6+/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Cholecystokinin (GUINEA PIG)	BDBM50040671 (1-[5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)| Show InChI InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440783 (CHEMBL2429882) Show SMILES CN1C[C@](C)(N(CC#Cc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H32F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5,8-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440792 (CHEMBL2431255) Show SMILES CC1(C)NC[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H29F2N5O3/c1-28(2)27(40)37(29(3,16-34-28)19-10-20(31)12-21(32)11-19)15-24(38)35-22-7-6-17-13-30(14-18(17)9-22)23-5-4-8-33-25(23)36-26(30)39/h4-12,34H,13-16H2,1-3H3,(H,35,38)(H,33,36,39)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440787 (CHEMBL2431250) Show SMILES CN1C[C@](C)(N(CCCc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H36F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5,8-10,13,15-18H,3-4,6-7,11-12,14,19-21H2,1-2H3,(H,37,38,41)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224431 (CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholecystokinin (GUINEA PIG)	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Cholecystokinin (GUINEA PIG)	BDBM50061220 (1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50040671 (1-[5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)| Show InChI InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50052278 (5-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H22F6N4O2/c24-22(25,26)16-9-14(10-17(11-16)23(27,28)29)13-35-18-7-4-8-33(12-19-30-21(34)32-31-19)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,30,31,32,34)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125 I]-Tyr8 SP from the cloned human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 39: 2907-14 (1996) Article DOI: 10.1021/jm9506534 BindingDB Entry DOI: 10.7270/Q2D21WP4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218239 ((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES CC(C)NC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C24H25F7N2O2/c1-13(2)32-22(34)33-11-20(15-4-6-19(25)7-5-15)21(12-33)35-14(3)16-8-17(23(26,27)28)10-18(9-16)24(29,30)31/h4-10,13-14,20-21H,11-12H2,1-3H3,(H,32,34)/t14-,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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218225 (1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)ph...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H29F7N2O3/c1-16(20-11-21(27(30,31)32)13-22(12-20)28(33,34)35)40-25-15-37(14-24(25)18-3-5-23(29)6-4-18)26(39)19-7-9-36(10-8-19)17(2)38/h3-6,11-13,16,19,24-25H,7-10,14-15H2,1-2H3/t16-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218213 (1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H20F7NO2/c1-12(15-7-16(21(24,25)26)9-17(8-15)22(27,28)29)32-20-11-30(13(2)31)10-19(20)14-3-5-18(23)6-4-14/h3-9,12,19-20H,10-11H2,1-2H3/t12-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218240 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:16| Show InChI InChI=1S/C25H23F6NO2/c1-15(17-9-18(24(26,27)28)11-19(10-17)25(29,30)31)34-23-14-32(20-7-8-21(33)12-20)13-22(23)16-5-3-2-4-6-16/h2-6,9-12,15,22-23H,7-8,13-14H2,1H3/t15-,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 & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218235 (1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H21F6NO2/c1-13(16-8-17(21(23,24)25)10-18(9-16)22(26,27)28)31-20-12-29(14(2)30)11-19(20)15-6-4-3-5-7-15/h3-10,13,19-20H,11-12H2,1-2H3/t13-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220136 (3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218224 (1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES CCC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C23H22F7NO2/c1-3-21(32)31-11-19(14-4-6-18(24)7-5-14)20(12-31)33-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h4-10,13,19-20H,3,11-12H2,1-2H3/t13-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218220 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)C(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-7-21(11-23(14)35)34-12-22(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-8-18(25(28,29)30)10-19(9-17)26(31,32)33/h3-6,8-11,14-15,22,24H,7,12-13H2,1-2H3/t14?,15-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218220 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)C(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-7-21(11-23(14)35)34-12-22(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-8-18(25(28,29)30)10-19(9-17)26(31,32)33/h3-6,8-11,14-15,22,24H,7,12-13H2,1-2H3/t14?,15-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50106711 (5-[2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3...) Show SMILES C[C@@H](OC1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1				J Med Chem 44: 4296-9 (2001) BindingDB Entry DOI: 10.7270/Q2PN96BR
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440789 (CHEMBL2431248) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0970	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor (unknown origin) by cell based cAMP assay				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218212 ((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES CCNC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C23H23F7N2O2/c1-3-31-21(33)32-11-19(14-4-6-18(24)7-5-14)20(12-32)34-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h4-10,13,19-20H,3,11-12H2,1-2H3,(H,31,33)/t13-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218217 ((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES CNC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C22H21F7N2O2/c1-12(14-7-15(21(24,25)26)9-16(8-14)22(27,28)29)33-19-11-31(20(32)30-2)10-18(19)13-3-5-17(23)6-4-13/h3-9,12,18-19H,10-11H2,1-2H3,(H,30,32)/t12-,18+,19-/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218227 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C25H22F7NO2/c1-14(16-8-17(24(27,28)29)10-18(9-16)25(30,31)32)35-23-13-33(20-6-7-21(34)11-20)12-22(23)15-2-4-19(26)5-3-15/h2-5,8-11,14,22-23H,6-7,12-13H2,1H3/t14-,22+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218226 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)CC1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-7-21(35)11-23(14)34-12-22(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-8-18(25(28,29)30)10-19(9-17)26(31,32)33/h3-6,8-11,14-15,22,24H,7,12-13H2,1-2H3/t14?,15-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218231 (4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)N(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C25H23F7N2O2/c1-14(16-7-17(24(27,28)29)9-18(8-16)25(30,31)32)36-22-13-34(20-10-23(35)33(2)11-20)12-21(22)15-3-5-19(26)6-4-15/h3-10,14,21-22H,11-13H2,1-2H3/t14-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218230 (((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)c1cnc(C)cn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H22F7N3O2/c1-14-10-35-22(11-34-14)24(37)36-12-21(16-3-5-20(27)6-4-16)23(13-36)38-15(2)17-7-18(25(28,29)30)9-19(8-17)26(31,32)33/h3-11,15,21,23H,12-13H2,1-2H3/t15-,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	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218233 ((S)-5-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)N1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H25F7N2O3/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)38-22-13-35(24(37)21-7-8-23(36)34(21)2)12-20(22)15-3-5-19(27)6-4-15/h3-6,9-11,14,20-22H,7-8,12-13H2,1-2H3/t14-,20+,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218234 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)CC(C)(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:16| Show InChI InChI=1S/C28H29F6NO2/c1-17(19-9-20(27(29,30)31)11-21(10-19)28(32,33)34)37-25-16-35(15-24(25)18-7-5-4-6-8-18)22-12-23(36)14-26(2,3)13-22/h4-12,17,24-25H,13-16H2,1-3H3/t17-,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 & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218222 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=C(C)C(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:17| Show InChI InChI=1S/C26H24F7NO2/c1-14-22(7-8-23(14)35)34-12-21(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-9-18(25(28,29)30)11-19(10-17)26(31,32)33/h3-6,9-11,15,21,24H,7-8,12-13H2,1-2H3/t15-,21+,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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191091 ((S)-5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)C[C@@H]1CCC(=O)N1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H31F7N2O2/c1-16(18-12-19(27(30,31)32)14-20(13-18)28(33,34)35)39-24-10-9-23(26(24)17-4-6-21(29)7-5-17)36(2)15-22-8-11-25(38)37(22)3/h4-7,12-14,16,22-24,26H,8-11,15H2,1-3H3/t16-,22+,23-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218218 ((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H27F7N2O2/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)36-21-13-34(22(35)33-23(2,3)4)12-20(21)15-5-7-19(26)8-6-15/h5-11,14,20-21H,12-13H2,1-4H3,(H,33,35)/t14-,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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218221 (1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES CC(C)C(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C24H24F7NO2/c1-13(2)22(33)32-11-20(15-4-6-19(25)7-5-15)21(12-32)34-14(3)16-8-17(23(26,27)28)10-18(9-16)24(29,30)31/h4-10,13-14,20-21H,11-12H2,1-3H3/t14-,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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218215 (((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)N1CCOCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O3/c1-16(18-11-19(24(26,27)28)13-20(12-18)25(29,30)31)36-22-15-33(23(34)32-7-9-35-10-8-32)14-21(22)17-5-3-2-4-6-17/h2-6,11-13,16,21-22H,7-10,14-15H2,1H3/t16-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218232 (4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)OC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:17| Show InChI InChI=1S/C24H20F7NO3/c1-13(15-6-16(23(26,27)28)8-17(7-15)24(29,30)31)35-21-11-32(19-9-22(33)34-12-19)10-20(21)14-2-4-18(25)5-3-14/h2-9,13,20-21H,10-12H2,1H3/t13-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191087 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES CCN(Cc1nnc[nH]1)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C26H27F7N4O/c1-3-37(13-23-34-14-35-36-23)21-8-9-22(24(21)16-4-6-20(27)7-5-16)38-15(2)17-10-18(25(28,29)30)12-19(11-17)26(31,32)33/h4-7,10-12,14-15,21-22,24H,3,8-9,13H2,1-2H3,(H,34,35,36)/t15-,21-,22+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191092 ((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)Cc1nnc[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H25F7N4O/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)37-21-8-7-20(36(2)12-22-33-13-34-35-22)23(21)15-3-5-19(26)6-4-15/h3-6,9-11,13-14,20-21,23H,7-8,12H2,1-2H3,(H,33,34,35)/t14-,20-,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50191079 (2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)p...) Show SMILES COCCN(CC(N)=O)[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C26H29F7N2O3/c1-15(17-11-18(25(28,29)30)13-19(12-17)26(31,32)33)38-22-8-7-21(35(9-10-37-2)14-23(34)36)24(22)16-3-5-20(27)6-4-16/h3-6,11-13,15,21-22,24H,7-10,14H2,1-2H3,(H2,34,36)/t15-,21-,22+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 4504-11 (2006) Article DOI: 10.1016/j.bmcl.2006.06.044 BindingDB Entry DOI: 10.7270/Q20P0ZM5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50218228 (3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccccc1)C1=CC(=O)C(C)(C)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:16| Show InChI InChI=1S/C28H29F6NO2/c1-17(19-11-20(27(29,30)31)13-21(12-19)28(32,33)34)37-24-16-35(15-23(24)18-7-5-4-6-8-18)22-9-10-26(2,3)25(36)14-22/h4-8,11-14,17,23-24H,9-10,15-16H2,1-3H3/t17-,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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5191-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.085 BindingDB Entry DOI: 10.7270/Q2GT5MW7
					More data for this Ligand-Target Pair

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