Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'kelleher' and Initial = 'fj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50117522 ((5S,6R,9S)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@H](CO1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound to human Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117508 ((5S,6R,9R)-5-(4-Fluoro-phenyl)-9-(2-trifluoromethy...) Show SMILES Fc1ccc(cc1)[C@@H]1NCCOC11CC[C@@H](CO1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F4NO2/c22-16-7-5-14(6-8-16)19-20(27-12-11-26-19)10-9-15(13-28-20)17-3-1-2-4-18(17)21(23,24)25/h1-8,15,19,26H,9-13H2/t15-,19-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound to human Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117523 (5-{(5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C26H26F4N8O4/c1-40-20-7-6-18(38-23(26(28,29)30)33-35-36-38)10-19(20)16-11-25(14-41-13-16)22(15-2-4-17(27)5-3-15)37(8-9-42-25)12-21-31-24(39)34-32-21/h2-7,10,16,22H,8-9,11-14H2,1H3,(H2,31,32,34,39)/t16-,22+,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117509 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-[2-methoxy-5-(5...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)-n1nnnc1C(F)(F)F Show InChI InChI=1S/C23H23F4N5O3/c1-33-19-7-6-17(32-21(23(25,26)27)29-30-31-32)10-18(19)15-11-22(13-34-12-15)20(28-8-9-35-22)14-2-4-16(24)5-3-14/h2-7,10,15,20,28H,8-9,11-13H2,1H3/t15-,20+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067961 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(CC2)C(=O)CN2CCCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O2/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)8-12-35(13-9-25)24(36)17-34-10-4-5-11-34/h1-3,6-7,14-16H,4-5,8-13,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067968 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(CC2)C(=O)Cn2ccnc2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H25F6N3O2/c27-25(28,29)21-12-19(13-22(14-21)26(30,31)32)16-37-17-24(20-4-2-1-3-5-20)6-9-35(10-7-24)23(36)15-34-11-8-33-18-34/h1-5,8,11-14,18H,6-7,9-10,15-17H2	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067979 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES CN(C)CC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C25H28F6N2O2/c1-32(2)15-22(34)33-10-8-23(9-11-33,19-6-4-3-5-7-19)17-35-16-18-12-20(24(26,27)28)14-21(13-18)25(29,30)31/h3-7,12-14H,8-11,15-17H2,1-2H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117515 (5-[(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-p...) Show SMILES COc1ccccc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C24H27FN4O4/c1-31-20-5-3-2-4-19(20)17-12-24(15-32-14-17)22(16-6-8-18(25)9-7-16)29(10-11-33-24)13-21-26-23(30)28-27-21/h2-9,17,22H,10-15H2,1H3,(H2,26,27,28,30)/t17-,22+,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067958 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES CN(C)CCC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C26H30F6N2O2/c1-33(2)11-8-23(35)34-12-9-24(10-13-34,20-6-4-3-5-7-20)18-36-17-19-14-21(25(27,28)29)16-22(15-19)26(30,31)32/h3-7,14-16H,8-13,17-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067969 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-meth...) Show SMILES CN1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F6NO/c1-29-9-7-20(8-10-29,17-5-3-2-4-6-17)15-30-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13H,7-10,14-15H2,1H3	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067980 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(CC2)C(=O)Cc2ccncc2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H26F6N2O2/c29-27(30,31)23-14-21(15-24(17-23)28(32,33)34)18-38-19-26(22-4-2-1-3-5-22)8-12-36(13-9-26)25(37)16-20-6-10-35-11-7-20/h1-7,10-11,14-15,17H,8-9,12-13,16,18-19H2	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	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50034271 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)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(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28H,6-9,13-14H2	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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070991 (2-benzylamino-3-(3,4-dichlorobenzyloxy)-1-[1-methy...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C30H33Cl2N3O4S/c1-40(37,38)35-21-30(24-9-5-6-10-28(24)35)13-15-34(16-14-30)29(36)27(33-18-22-7-3-2-4-8-22)20-39-19-23-11-12-25(31)26(32)17-23/h2-12,17,27,33H,13-16,18-21H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					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	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117510 (CHEMBL84881 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...) Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2C(F)(F)F)C1c1ccc(F)cc1 Show InChI InChI=1S/C27H31F4N5O2/c1-35(2)15-23-24(33-34-32-23)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-22(21)27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067962 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES CN(C)CCCC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C27H32F6N2O2/c1-34(2)12-6-9-24(36)35-13-10-25(11-14-35,21-7-4-3-5-8-21)19-37-18-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33/h3-5,7-8,15-17H,6,9-14,18-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117516 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-5-tr...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO3/c1-28-19-7-4-16(22(24,25)26)10-18(19)15-11-21(13-29-12-15)20(27-8-9-30-21)14-2-5-17(23)6-3-14/h2-7,10,15,20,27H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117521 (CHEMBL85626 | {5-[5-(4-Fluoro-phenyl)-9-(2-trifluo...) Show SMILES CN(C)Cc1nn[nH]c1CN1CCOC2(CCC(CO2)c2ccccc2OC(F)(F)F)C1c1ccc(F)cc1 Show InChI InChI=1S/C27H31F4N5O3/c1-35(2)15-22-23(33-34-32-22)16-36-13-14-37-26(25(36)18-7-9-20(28)10-8-18)12-11-19(17-38-26)21-5-3-4-6-24(21)39-27(29,30)31/h3-10,19,25H,11-17H2,1-2H3,(H,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067963 (5-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(Cc3n[nH]c(=O)[nH]3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O2/c25-23(26,27)18-10-16(11-19(12-18)24(28,29)30)14-36-15-22(17-4-2-1-3-5-17)6-8-34(9-7-22)13-20-31-21(35)33-32-20/h1-5,10-12H,6-9,13-15H2,(H2,31,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070966 (2-(3,4-dichlorobenzylamino)-3-(3,4-dichlorobenzylo...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C30H31Cl4N3O4S/c1-42(39,40)37-19-30(22-4-2-3-5-28(22)37)10-12-36(13-11-30)29(38)27(35-16-20-6-8-23(31)25(33)14-20)18-41-17-21-7-9-24(32)26(34)15-21/h2-9,14-15,27,35H,10-13,16-19H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067950 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(CC2)C(=O)Cc2ccccn2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H26F6N2O2/c29-27(30,31)22-14-20(15-23(16-22)28(32,33)34)18-38-19-26(21-6-2-1-3-7-21)9-12-36(13-10-26)25(37)17-24-8-4-5-11-35-24/h1-8,11,14-16H,9-10,12-13,17-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067959 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(CC2)C(=O)Cc2cccnc2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H26F6N2O2/c29-27(30,31)23-13-21(14-24(16-23)28(32,33)34)18-38-19-26(22-6-2-1-3-7-22)8-11-36(12-9-26)25(37)15-20-5-4-10-35-17-20/h1-7,10,13-14,16-17H,8-9,11-12,15,18-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067973 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(Cc3nnc[nH]3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H24F6N4O/c25-23(26,27)19-10-17(11-20(12-19)24(28,29)30)14-35-15-22(18-4-2-1-3-5-18)6-8-34(9-7-22)13-21-31-16-32-33-21/h1-5,10-12,16H,6-9,13-15H2,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067957 (4-(3-tert-Butyl-5-methyl-benzyloxymethyl)-4-phenyl...) Show SMILES Cc1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(C)(C)C Show InChI InChI=1S/C24H33NO/c1-19-14-20(16-22(15-19)23(2,3)4)17-26-18-24(10-12-25-13-11-24)21-8-6-5-7-9-21/h5-9,14-16,25H,10-13,17-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117514 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(5-isopropyl-2-...) Show SMILES COc1ccc(cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C24H30FNO3/c1-16(2)18-6-9-22(27-3)21(12-18)19-13-24(15-28-14-19)23(26-10-11-29-24)17-4-7-20(25)8-5-17/h4-9,12,16,19,23,26H,10-11,13-15H2,1-3H3/t19-,23+,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067956 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-(2-m...) Show SMILES Cc1nc(CN2CCC(COCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)(CC2)c2ccccc2)cs1 Show InChI InChI=1S/C26H26F6N2OS/c1-18-33-23(16-36-18)14-34-9-7-24(8-10-34,20-5-3-2-4-6-20)17-35-15-19-11-21(25(27,28)29)13-22(12-19)26(30,31)32/h2-6,11-13,16H,7-10,14-15,17H2,1H3	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067954 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-isop...) Show SMILES CC(C)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C24H27F6NO/c1-17(2)31-10-8-22(9-11-31,19-6-4-3-5-7-19)16-32-15-18-12-20(23(25,26)27)14-21(13-18)24(28,29)30/h3-7,12-14,17H,8-11,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067955 (4-(3-Bromo-5-methyl-benzyloxymethyl)-4-phenyl-pipe...) Show SMILES Cc1cc(Br)cc(COCC2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C20H24BrNO/c1-16-11-17(13-19(21)12-16)14-23-15-20(7-9-22-10-8-20)18-5-3-2-4-6-18/h2-6,11-13,22H,7-10,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067964 (CHEMBL359214 | [4-(3,5-Bis-trifluoromethyl-benzylo...) Show SMILES COC(=O)CN1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C24H25F6NO3/c1-33-21(32)14-31-9-7-22(8-10-31,18-5-3-2-4-6-18)16-34-15-17-11-19(23(25,26)27)13-20(12-17)24(28,29)30/h2-6,11-13H,7-10,14-16H2,1H3	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070977 (2-benzylamino-5-(3,4-dichlorophenyl)-1-[1-methylsu...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(CCCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C31H35Cl2N3O3S/c1-40(38,39)36-22-31(25-11-5-6-13-29(25)36)16-18-35(19-17-31)30(37)28(34-21-24-8-3-2-4-9-24)12-7-10-23-14-15-26(32)27(33)20-23/h2-6,8-9,11,13-15,20,28,34H,7,10,12,16-19,21-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50034275 (4-(3,5-Dichloro-benzyloxymethyl)-4-phenyl-piperidi...) Show SMILES Clc1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C19H21Cl2NO/c20-17-10-15(11-18(21)12-17)13-23-14-19(6-8-22-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,22H,6-9,13-14H2	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067970 (1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-p...) Show SMILES CC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C23H23F6NO2/c1-16(31)30-9-7-21(8-10-30,18-5-3-2-4-6-18)15-32-14-17-11-19(22(24,25)26)13-20(12-17)23(27,28)29/h2-6,11-13H,7-10,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067976 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-meth...) Show SMILES CS(=O)(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C22H23F6NO3S/c1-33(30,31)29-9-7-20(8-10-29,17-5-3-2-4-6-17)15-32-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13H,7-10,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070998 (2-benzylamino-3-(4-chlorobenzyloxy)-1-[1-methylsul...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccc(Cl)cc2)NCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C30H34ClN3O4S/c1-39(36,37)34-22-30(26-9-5-6-10-28(26)34)15-17-33(18-16-30)29(35)27(32-19-23-7-3-2-4-8-23)21-38-20-24-11-13-25(31)14-12-24/h2-14,27,32H,15-22H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067966 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-phen...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H29F6NO/c30-28(31,32)25-17-23(18-26(19-25)29(33,34)35)20-37-21-27(24-9-5-2-6-10-24)12-15-36(16-13-27)14-11-22-7-3-1-4-8-22/h1-10,17-19H,11-16,20-21H2	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	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067965 (4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-[1,2...) Show SMILES FC(F)(F)c1cc(COCC2(CCN(Cc3ncon3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F6N3O2/c25-23(26,27)19-10-17(11-20(12-19)24(28,29)30)14-34-15-22(18-4-2-1-3-5-18)6-8-33(9-7-22)13-21-31-16-35-32-21/h1-5,10-12,16H,6-9,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070963 (2-benzylamino-3-(2-chlorobenzyloxy)-1-[1-methylsul...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2cccc(Cl)c2)NCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C30H34ClN3O4S/c1-39(36,37)34-22-30(26-12-5-6-13-28(26)34)14-16-33(17-15-30)29(35)27(32-19-23-8-3-2-4-9-23)21-38-20-24-10-7-11-25(31)18-24/h2-13,18,27,32H,14-17,19-22H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50034272 (4-(3,5-Dimethyl-benzyloxymethyl)-4-phenyl-piperidi...) Show SMILES Cc1cc(C)cc(COCC2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C21H27NO/c1-17-12-18(2)14-19(13-17)15-23-16-21(8-10-22-11-9-21)20-6-4-3-5-7-20/h3-7,12-14,22H,8-11,15-16H2,1-2H3	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	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117511 ((3S,5S,10S)-10-(5-Fluoro-2-methoxy-phenyl)-5-(4-fl...) Show SMILES COc1ccc(F)cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO3/c1-25-19-7-6-17(23)10-18(19)15-11-21(13-26-12-15)20(24-8-9-27-21)14-2-4-16(22)5-3-14/h2-7,10,15,20,24H,8-9,11-13H2,1H3/t15-,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070986 (3-(3-chlorobenzyloxy)-2-(3,4-dichlorobenzylamino)-...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2cccc(Cl)c2)NCc2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C30H32Cl3N3O4S/c1-41(38,39)36-20-30(24-7-2-3-8-28(24)36)11-13-35(14-12-30)29(37)27(19-40-18-22-5-4-6-23(31)15-22)34-17-21-9-10-25(32)26(33)16-21/h2-10,15-16,27,34H,11-14,17-20H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070979 (3-benzyloxy-2-(3,4-dichlorobenzylamino)-1-[1-methy...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCc2ccccc2)NCc2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C30H33Cl2N3O4S/c1-40(37,38)35-21-30(24-9-5-6-10-28(24)35)13-15-34(16-14-30)29(36)27(20-39-19-22-7-3-2-4-8-22)33-18-23-11-12-25(31)26(32)17-23/h2-12,17,27,33H,13-16,18-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067960 ((3,5-Bis-trifluoromethyl-benzyl)-(4-phenyl-piperid...) Show SMILES FC(F)(F)c1cc(CNCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H22F6N2/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(6-8-28-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,28-29H,6-9,13-14H2	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	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117518 ((3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(2-methoxy-phen...) Show SMILES COc1ccccc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C21H24FNO3/c1-24-19-5-3-2-4-18(19)16-12-21(14-25-13-16)20(23-10-11-26-21)15-6-8-17(22)9-7-15/h2-9,16,20,23H,10-14H2,1H3/t16-,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070983 (2-benzylamino-3-(3,4-dichlorobenzylsulfanyl)-1-[1-...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](CSCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C30H33Cl2N3O3S2/c1-40(37,38)35-21-30(24-9-5-6-10-28(24)35)13-15-34(16-14-30)29(36)27(33-18-22-7-3-2-4-8-22)20-39-19-23-11-12-25(31)26(32)17-23/h2-12,17,27,33H,13-16,18-21H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067978 (2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-eth...) Show SMILES NC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H15F6NO/c18-16(19,20)13-6-11(7-14(8-13)17(21,22)23)9-25-10-15(24)12-4-2-1-3-5-12/h1-8,15H,9-10,24H2	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	13.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117524 ((3S,5S,10S)-10-(2,5-Dimethoxy-phenyl)-5-(4-fluoro-...) Show SMILES COc1ccc(OC)c(c1)[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Show InChI InChI=1S/C22H26FNO4/c1-25-18-7-8-20(26-2)19(11-18)16-12-22(14-27-13-16)21(24-9-10-28-22)15-3-5-17(23)6-4-15/h3-8,11,16,21,24H,9-10,12-14H2,1-2H3/t16-,21+,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50070964 (3-benzyloxy-2-(3,4-dichlorobenzylamino)-1-[1-methy...) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccccc2)NCc2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C30H33Cl2N3O4S/c1-40(37,38)35-21-30(24-9-5-6-10-28(24)35)13-15-34(16-14-30)29(36)27(20-39-19-22-7-3-2-4-8-22)33-18-23-11-12-25(31)26(32)17-23/h2-12,17,27,33H,13-16,18-21H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50117506 (5-(5,9-Diphenyl-1,7-dioxa-4-aza-spiro[5.5]undec-4-...) Show SMILES O=c1[nH]nc(CN2CCOC3(CCC(CO3)c3ccccc3)C2c2ccccc2)[nH]1 Show InChI InChI=1S/C23H26N4O3/c28-22-24-20(25-26-22)15-27-13-14-29-23(21(27)18-9-5-2-6-10-18)12-11-19(16-30-23)17-7-3-1-4-8-17/h1-10,19,21H,11-16H2,(H2,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 2515-8 (2002) BindingDB Entry DOI: 10.7270/Q27P8XQ9
					More data for this Ligand-Target Pair

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