Compile Data Set for Download or QSAR

Found 20 hits of kd data for polymerid = 2103,2104   

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))	BDBM50413891 (VESTIPITANT) Show SMILES C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0302	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Binding affinity to human recombinant NK1 receptor expressed in CHO cells assessed as dissociation constant				J Med Chem 52: 3238-47 (2009) Article DOI: 10.1021/jm900023b BindingDB Entry DOI: 10.7270/Q2BP0425
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002462 (1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Scatchard analysis at concentration of the 3 uM :Apparent affinity constant (Kd) against tachykinin receptor 1				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002462 (1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Scatchard analysis at concentration of the 1 uM :Apparent affinity constant (Kd) against tachykinin receptor 1				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002462 (1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Scatchard analysis at concentration of the 10 uM :Apparent affinity constant (Kd) against tachykinin receptor 1				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50346328 ((S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]az...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN1Cc2ccccc2C[C@H](NC(C)=O)C1=O |r| Show InChI InChI=1S/C24H23F6N3O3/c1-14(34)31-20-9-16-5-3-4-6-17(16)12-33(22(20)36)13-21(35)32(2)11-15-7-18(23(25,26)27)10-19(8-15)24(28,29)30/h3-8,10,20H,9,11-13H2,1-2H3,(H,31,34)/t20-/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	n/a	3.98	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine lumines...				J Med Chem 54: 2467-76 (2011) Article DOI: 10.1021/jm1016285 BindingDB Entry DOI: 10.7270/Q2416XD1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000040 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/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	n/a	5.37	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Competitive inhibition of wild type human NK1 receptor expressed in HEK293 cells assessed as decrease in SP1-induced [3H]IP accumulation after 20 min...				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50346329 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/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	n/a	15.8	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine lumines...				J Med Chem 54: 2467-76 (2011) Article DOI: 10.1021/jm1016285 BindingDB Entry DOI: 10.7270/Q2416XD1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50346326 ((S)-2-acetyl-N-(3,5-bis(trifluoromethyl)benzyl)-N-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O |r| Show InChI InChI=1S/C22H20F6N2O2/c1-13(31)30-12-16-6-4-3-5-15(16)9-19(30)20(32)29(2)11-14-7-17(21(23,24)25)10-18(8-14)22(26,27)28/h3-8,10,19H,9,11-12H2,1-2H3/t19-/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	n/a	31.6	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine lumines...				J Med Chem 54: 2467-76 (2011) Article DOI: 10.1021/jm1016285 BindingDB Entry DOI: 10.7270/Q2416XD1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289765 (CHEMBL292816 | Tributyl-{4-[(R)-2-(N',N''-dicycloh...) Show SMILES [#6]-[#6]-[#6]-[#6][N+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C45H67N5O/c1-4-7-30-50(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(51)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,51)/p+1/t43-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289769 (CHEMBL555236 | Tributyl-{4-[(R)-2-(N',N''-dicycloh...) Show SMILES [#6]-[#6]-[#6]-[#6][P+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 |r| Show InChI InChI=1S/C45H67N4OP/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,50)/p+1/t43-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289768 (CHEMBL294452 | Tributyl-{4-[(S)-2-(N',N''-dicycloh...) Show SMILES [#6]-[#6]-[#6]-[#6][N+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C45H67N5O/c1-4-7-30-50(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(51)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,51)/p+1/t43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50346327 ((S)-2-(4-acetamido-3-oxo-4,5-dihydro-1H-benzo[c]az...) Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H21F6N3O3/c1-13(33)31-19-8-15-4-2-3-5-16(15)11-32(21(19)35)12-20(34)30-10-14-6-17(22(24,25)26)9-18(7-14)23(27,28)29/h2-7,9,19H,8,10-12H2,1H3,(H,30,34)(H,31,33)/t19-/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	n/a	631	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine lumines...				J Med Chem 54: 2467-76 (2011) Article DOI: 10.1021/jm1016285 BindingDB Entry DOI: 10.7270/Q2416XD1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289776 (CHEMBL539631 | Tributyl-{4-[(S)-2-(N',N''-dicycloh...) Show SMILES [#6]-[#6]-[#6]-[#6][P+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 |r| Show InChI InChI=1S/C45H67N4OP/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,50)/p+1/t43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289775 ((R)-2-(N',N''-Dicyclohexyl-guanidino)-N-(4-guanidi...) Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-c1ccc(-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C34H45N7O/c35-33(36)37-23-24-16-19-30(20-17-24)38-32(42)31(22-25-15-18-26-9-7-8-10-27(26)21-25)41-34(39-28-11-3-1-4-12-28)40-29-13-5-2-6-14-29/h7-10,15-21,28-29,31H,1-6,11-14,22-23H2,(H,38,42)(H4,35,36,37)(H2,39,40,41)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289778 ((S)-2-(N',N''-Dicyclohexyl-guanidino)-N-(4-guanidi...) Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C34H45N7O/c35-33(36)37-23-24-16-19-30(20-17-24)38-32(42)31(22-25-15-18-26-9-7-8-10-27(26)21-25)41-34(39-28-11-3-1-4-12-28)40-29-13-5-2-6-14-29/h7-10,15-21,28-29,31H,1-6,11-14,22-23H2,(H,38,42)(H4,35,36,37)(H2,39,40,41)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289766 (CHEMBL555235 | Tributyl-{4-[(S)-2-(3-cyclohexyl-ur...) Show SMILES CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)NC2CCCCC2)cc1 |r| Show InChI InChI=1S/C39H56N3O2P/c1-4-7-25-45(26-8-5-2,27-9-6-3)30-31-20-23-36(24-21-31)40-38(43)37(42-39(44)41-35-17-11-10-12-18-35)29-32-19-22-33-15-13-14-16-34(33)28-32/h13-16,19-24,28,35,37H,4-12,17-18,25-27,29-30H2,1-3H3,(H2-,40,41,42,43,44)/p+1/t37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289770 ((S)-N-(4-Aminomethyl-phenyl)-2-(N',N''-dicyclohexy...) Show SMILES [#7]-[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C33H43N5O/c34-23-24-16-19-30(20-17-24)35-32(39)31(22-25-15-18-26-9-7-8-10-27(26)21-25)38-33(36-28-11-3-1-4-12-28)37-29-13-5-2-6-14-29/h7-10,15-21,28-29,31H,1-6,11-14,22-23,34H2,(H,35,39)(H2,36,37,38)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289763 (1N-{4-[1-cyclohexylamino(cyclohexylimino)methylami...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C39H55N9O2/c40-34(16-9-23-43-38(41)42)36(49)44-26-27-18-21-33(22-19-27)45-37(50)35(25-28-17-20-29-10-7-8-11-30(29)24-28)48-39(46-31-12-3-1-4-13-31)47-32-14-5-2-6-15-32/h7-8,10-11,17-22,24,31-32,34-35H,1-6,9,12-16,23,25-26,40H2,(H,44,49)(H,45,50)(H4,41,42,43)(H2,46,47,48)/t34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289777 ((S)-2-(N',N''-Dicyclohexyl-guanidino)-N-[4-(N',N''...) Show SMILES [#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6])=[#7]/[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C38H53N7O/c1-3-39-37(40-4-2)41-27-28-20-23-34(24-21-28)42-36(46)35(26-29-19-22-30-13-11-12-14-31(30)25-29)45-38(43-32-15-7-5-8-16-32)44-33-17-9-6-10-18-33/h11-14,19-25,32-33,35H,3-10,15-18,26-27H2,1-2H3,(H,42,46)(H2,39,40,41)(H2,43,44,45)/t35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50289772 (5-Aminomethyl-2-[(S)-2-(N',N''-dicyclohexyl-guanid...) Show SMILES [#7]-[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)\[#7]=[#6](\[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c(c1)-[#6](-[#8])=O Show InChI InChI=1S/C34H43N5O3/c35-22-24-16-18-30(29(20-24)33(41)42)38-32(40)31(21-23-15-17-25-9-7-8-10-26(25)19-23)39-34(36-27-11-3-1-4-12-27)37-28-13-5-2-6-14-28/h7-10,15-20,27-28,31H,1-6,11-14,21-22,35H2,(H,38,40)(H,41,42)(H2,36,37,39)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1, activity expressed as Kd				Bioorg Med Chem Lett 7: 1921-1926 (1997) Article DOI: 10.1016/S0960-894X(97)00328-4 BindingDB Entry DOI: 10.7270/Q2XG9R44
					More data for this Ligand-Target Pair