Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'howbert' and Initial = 'jj'   

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
Cholecystokinin receptor type A (RAT)	BDBM50005463 ((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049319 (CHEMBL42407 | Lanepitant | N-[(R)-1-{[Acetyl-(2-me...) Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N1CCCCC1)C(C)=O Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049315 (CHEMBL423623 | N-[1-{[Acetyl-(2-chloro-benzyl)-ami...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N1CCCCC1)Cc1ccccc1Cl Show InChI InChI=1S/C32H42ClN5O2/c1-24(39)38(21-25-9-3-5-11-30(25)33)22-27(19-26-20-34-31-12-6-4-10-29(26)31)35-32(40)23-36-17-13-28(14-18-36)37-15-7-2-8-16-37/h3-6,9-12,20,27-28,34H,2,7-8,13-19,21-23H2,1H3,(H,35,40)	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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049309 (CHEMBL348976 | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl...) Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)C1CCCCC1)C(C)=O Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h6-10,13-15,21,28-29,34H,3-5,11-12,16-20,22-24H2,1-2H3,(H,35,40)/t28-/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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049328 (CHEMBL134500 | LY-303870 | N-[1-{[Acetyl-(2-methox...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N1CCCCC1)C(C)=O Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)	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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049320 (CHEMBL162337 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)C1CCCCC1)C(C)=O Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h6-10,13-15,21,28-29,34H,3-5,11-12,16-20,22-24H2,1-2H3,(H,35,40)	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	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50281730 (4-Chloro-N-((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydr...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C23H18ClN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049342 (CHEMBL352176 | N-[1-{[Formyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C=O Show InChI InChI=1S/C32H37N5O3/c1-40-31-14-8-5-9-25(31)21-36(24-38)22-27(19-26-20-33-30-13-7-6-12-29(26)30)34-32(39)23-35-15-17-37(18-16-35)28-10-3-2-4-11-28/h2-14,20,24,27,33H,15-19,21-23H2,1H3,(H,34,39)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049341 (CHEMBL350381 | N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl...) Show SMILES CCC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1OC Show InChI InChI=1S/C34H41N5O3/c1-3-34(41)39(23-26-11-7-10-16-32(26)42-2)24-28(21-27-22-35-31-15-9-8-14-30(27)31)36-33(40)25-37-17-19-38(20-18-37)29-12-5-4-6-13-29/h4-16,22,28,35H,3,17-21,23-25H2,1-2H3,(H,36,40)	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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049318 (CHEMBL351274 | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl...) Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C33H39N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h3-15,21,28,34H,16-20,22-24H2,1-2H3,(H,35,40)/t28-/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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049338 (CHEMBL353093 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(Cc2ccccc2)CC1)C(C)=O Show InChI InChI=1S/C34H41N5O3/c1-26(40)39(23-28-12-6-9-15-33(28)42-2)24-30(20-29-21-35-32-14-8-7-13-31(29)32)36-34(41)25-38-18-16-37(17-19-38)22-27-10-4-3-5-11-27/h3-15,21,30,35H,16-20,22-25H2,1-2H3,(H,36,41)	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	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50049338 (CHEMBL353093 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(Cc2ccccc2)CC1)C(C)=O Show InChI InChI=1S/C34H41N5O3/c1-26(40)39(23-28-12-6-9-15-33(28)42-2)24-30(20-29-21-35-32-14-8-7-13-31(29)32)36-34(41)25-38-18-16-37(17-19-38)22-27-10-4-3-5-11-27/h3-15,21,30,35H,16-20,22-25H2,1-2H3,(H,36,41)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049356 (CHEMBL554713 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C33H39N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h3-15,21,28,34H,16-20,22-24H2,1-2H3,(H,35,40)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049352 (CHEMBL165007 | N-(1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1csc2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C33H38N4O3S/c1-25(38)37(21-26-10-6-8-14-31(26)40-2)22-28(20-27-24-41-32-15-9-7-13-30(27)32)34-33(39)23-35-16-18-36(19-17-35)29-11-4-3-5-12-29/h3-15,24,28H,16-23H2,1-2H3,(H,34,39)	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	1.18	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049329 (CHEMBL350846 | N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl...) Show SMILES COC(=O)CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1OC Show InChI InChI=1S/C35H41N5O5/c1-44-32-15-9-6-10-26(32)23-40(34(42)21-35(43)45-2)24-28(20-27-22-36-31-14-8-7-13-30(27)31)37-33(41)25-38-16-18-39(19-17-38)29-11-4-3-5-12-29/h3-15,22,28,36H,16-21,23-25H2,1-2H3,(H,37,41)	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	1.28	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Mus musculus)	BDBM50049309 (CHEMBL348976 | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl...) Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)C1CCCCC1)C(C)=O Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h6-10,13-15,21,28-29,34H,3-5,11-12,16-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50049309 (CHEMBL348976 | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl...) Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)C1CCCCC1)C(C)=O Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h6-10,13-15,21,28-29,34H,3-5,11-12,16-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in rat brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049313 (2-Dimethylamino-N-{3-(1H-indol-3-yl)-2-[2-(4-pheny...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)CN(C)C Show InChI InChI=1S/C35H44N6O3/c1-38(2)26-35(43)41(23-27-11-7-10-16-33(27)44-3)24-29(21-28-22-36-32-15-9-8-14-31(28)32)37-34(42)25-39-17-19-40(20-18-39)30-12-5-4-6-13-30/h4-16,22,29,36H,17-21,23-26H2,1-3H3,(H,37,42)	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	1.54	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049347 (CHEMBL165498 | N-[1-{[Acetyl-(2-chloro-benzyl)-ami...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1Cl Show InChI InChI=1S/C32H36ClN5O2/c1-24(39)38(21-25-9-5-7-13-30(25)33)22-27(19-26-20-34-31-14-8-6-12-29(26)31)35-32(40)23-36-15-17-37(18-16-36)28-10-3-2-4-11-28/h2-14,20,27,34H,15-19,21-23H2,1H3,(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50006878 ((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	6.5	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain at a pH of 6.5				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049314 (CHEMBL350366 | N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C38H41N5O3/c1-46-36-19-11-8-14-30(36)26-43(38(45)29-12-4-2-5-13-29)27-32(24-31-25-39-35-18-10-9-17-34(31)35)40-37(44)28-41-20-22-42(23-21-41)33-15-6-3-7-16-33/h2-19,25,32,39H,20-24,26-28H2,1H3,(H,40,44)	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	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049337 (CHEMBL163133 | N-[1-[(Acetyl-benzyl-amino)-methyl]...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C32H37N5O2/c1-25(38)37(22-26-10-4-2-5-11-26)23-28(20-27-21-33-31-15-9-8-14-30(27)31)34-32(39)24-35-16-18-36(19-17-35)29-12-6-3-7-13-29/h2-15,21,28,33H,16-20,22-24H2,1H3,(H,34,39)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049330 (CHEMBL164175 | N-[1-{[Acetyl-(4-methoxy-benzyl)-am...) Show SMILES COc1ccc(CN(CC(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(CC2)c2ccccc2)C(C)=O)cc1 Show InChI InChI=1S/C33H39N5O3/c1-25(39)38(22-26-12-14-30(41-2)15-13-26)23-28(20-27-21-34-32-11-7-6-10-31(27)32)35-33(40)24-36-16-18-37(19-17-36)29-8-4-3-5-9-29/h3-15,21,28,34H,16-20,22-24H2,1-2H3,(H,35,40)	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049343 (CHEMBL106334 | N-{2-[Acetyl-(2-methoxy-benzyl)-ami...) Show SMILES COc1ccccc1CN(CC(Cc1cccc2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C35H40N4O3/c1-27(40)39(24-30-12-7-9-18-34(30)42-2)25-31(23-29-14-10-13-28-11-6-8-17-33(28)29)36-35(41)26-37-19-21-38(22-20-37)32-15-4-3-5-16-32/h3-18,31H,19-26H2,1-2H3,(H,36,41)	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	2.73	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049355 (CHEMBL350582 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N(C)C)C(C)=O Show InChI InChI=1S/C30H41N5O3/c1-22(36)35(19-23-9-5-8-12-29(23)38-4)20-25(17-24-18-31-28-11-7-6-10-27(24)28)32-30(37)21-34-15-13-26(14-16-34)33(2)3/h5-12,18,25-26,31H,13-17,19-21H2,1-4H3,(H,32,37)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50281732 (4-Chloro-N-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydr...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C23H18ClN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049354 (CHEMBL163310 | N-[1-{[Acetyl-(2-nitro-benzyl)-amin...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C32H36N6O4/c1-24(39)37(21-25-9-5-8-14-31(25)38(41)42)22-27(19-26-20-33-30-13-7-6-12-29(26)30)34-32(40)23-35-15-17-36(18-16-35)28-10-3-2-4-11-28/h2-14,20,27,33H,15-19,21-23H2,1H3,(H,34,40)	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	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049335 (CHEMBL165510 | N-{2-(1H-Indol-3-yl)-1-[1-(2-methox...) Show SMILES CNC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1OC Show InChI InChI=1S/C33H40N6O3/c1-34-33(41)39(22-25-10-6-9-15-31(25)42-2)23-27(20-26-21-35-30-14-8-7-13-29(26)30)36-32(40)24-37-16-18-38(19-17-37)28-11-4-3-5-12-28/h3-15,21,27,35H,16-20,22-24H2,1-2H3,(H,34,41)(H,36,40)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049323 (CHEMBL351253 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(=CC1)c1ccccc1)C(C)=O |c:32| Show InChI InChI=1S/C34H38N4O3/c1-25(39)38(22-28-12-6-9-15-33(28)41-2)23-30(20-29-21-35-32-14-8-7-13-31(29)32)36-34(40)24-37-18-16-27(17-19-37)26-10-4-3-5-11-26/h3-16,21,30,35H,17-20,22-24H2,1-2H3,(H,36,40)	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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049317 (CHEMBL165949 | N-[1-{[Acetyl-(2-trifluoromethyl-be...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1C(F)(F)F Show InChI InChI=1S/C33H36F3N5O2/c1-24(42)41(21-25-9-5-7-13-30(25)33(34,35)36)22-27(19-26-20-37-31-14-8-6-12-29(26)31)38-32(43)23-39-15-17-40(18-16-39)28-10-3-2-4-11-28/h2-14,20,27,37H,15-19,21-23H2,1H3,(H,38,43)	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049308 (CHEMBL162977 | N-[1-{[Acetyl-(2-methyl-benzyl)-ami...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1C Show InChI InChI=1S/C33H39N5O2/c1-25-10-6-7-11-27(25)22-38(26(2)39)23-29(20-28-21-34-32-15-9-8-14-31(28)32)35-33(40)24-36-16-18-37(19-17-36)30-12-4-3-5-13-30/h3-15,21,29,34H,16-20,22-24H2,1-2H3,(H,35,40)	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049348 (CHEMBL166240 | N-{1-(1H-Indol-3-ylmethyl)-2-[metha...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C32H39N5O4S/c1-41-31-15-9-6-10-25(31)22-37(42(2,39)40)23-27(20-26-21-33-30-14-8-7-13-29(26)30)34-32(38)24-35-16-18-36(19-17-35)28-11-4-3-5-12-28/h3-15,21,27,33H,16-20,22-24H2,1-2H3,(H,34,38)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049331 (CHEMBL166144 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C34H40N4O3/c1-25(39)38(22-28-12-6-9-15-33(28)41-2)23-30(20-29-21-35-32-14-8-7-13-31(29)32)36-34(40)24-37-18-16-27(17-19-37)26-10-4-3-5-11-26/h3-15,21,27,30,35H,16-20,22-24H2,1-2H3,(H,36,40)	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049345 (CHEMBL423824 | N-[1-{[Acetyl-(3-methoxy-benzyl)-am...) Show SMILES COc1cccc(CN(CC(Cc2c[nH]c3ccccc23)NC(=O)CN2CCN(CC2)c2ccccc2)C(C)=O)c1 Show InChI InChI=1S/C33H39N5O3/c1-25(39)38(22-26-9-8-12-30(19-26)41-2)23-28(20-27-21-34-32-14-7-6-13-31(27)32)35-33(40)24-36-15-17-37(18-16-36)29-10-4-3-5-11-29/h3-14,19,21,28,34H,15-18,20,22-24H2,1-2H3,(H,35,40)	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049310 (CHEMBL423464 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C)CC1)C(C)=O Show InChI InChI=1S/C28H37N5O3/c1-21(34)33(18-22-8-4-7-11-27(22)36-3)19-24(16-23-17-29-26-10-6-5-9-25(23)26)30-28(35)20-32-14-12-31(2)13-15-32/h4-11,17,24,29H,12-16,18-20H2,1-3H3,(H,30,35)	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049353 (CHEMBL165566 | {3-(1H-Indol-3-yl)-2-[2-(4-phenyl-p...) Show SMILES CCOC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1OC Show InChI InChI=1S/C34H41N5O4/c1-3-43-34(41)39(23-26-11-7-10-16-32(26)42-2)24-28(21-27-22-35-31-15-9-8-14-30(27)31)36-33(40)25-37-17-19-38(20-18-37)29-12-5-4-6-13-29/h4-16,22,28,35H,3,17-21,23-25H2,1-2H3,(H,36,40)	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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50029885 ((3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7...) Show SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in rat brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049311 (CHEMBL166178 | N-[1-{[Acetyl-(2-methylsulfanyl-ben...) Show SMILES CSc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C33H39N5O2S/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h3-15,21,28,34H,16-20,22-24H2,1-2H3,(H,35,40)	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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049326 (CHEMBL164563 | N-{2-[Acetyl-(2-methoxy-benzyl)-ami...) Show SMILES COc1ccccc1CN(CC(Cc1ccccc1)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C31H38N4O3/c1-25(36)35(22-27-13-9-10-16-30(27)38-2)23-28(21-26-11-5-3-6-12-26)32-31(37)24-33-17-19-34(20-18-33)29-14-7-4-8-15-29/h3-16,28H,17-24H2,1-2H3,(H,32,37)	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50060321 (1H-Indole-2-carboxylic acid ((R)-1-methyl-2-oxo-5-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Substance-P receptor (Mus musculus)	BDBM50029885 ((3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7...) Show SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049332 (CHEMBL353116 | N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)CC(O)=O Show InChI InChI=1S/C34H39N5O5/c1-44-31-14-8-5-9-25(31)22-39(33(41)20-34(42)43)23-27(19-26-21-35-30-13-7-6-12-29(26)30)36-32(40)24-37-15-17-38(18-16-37)28-10-3-2-4-11-28/h2-14,21,27,35H,15-20,22-24H2,1H3,(H,36,40)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049306 (CHEMBL351940 | N-{2-[Acetyl-(2-methoxy-benzyl)-ami...) Show SMILES COc1ccccc1CN(CC(Cc1ccc2ccccc2c1)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C35H40N4O3/c1-27(40)39(24-31-12-8-9-15-34(31)42-2)25-32(23-28-16-17-29-10-6-7-11-30(29)22-28)36-35(41)26-37-18-20-38(21-19-37)33-13-4-3-5-14-33/h3-17,22,32H,18-21,23-26H2,1-2H3,(H,36,41)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50049338 (CHEMBL353093 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(Cc2ccccc2)CC1)C(C)=O Show InChI InChI=1S/C34H41N5O3/c1-26(40)39(23-28-12-6-9-15-33(28)42-2)24-30(20-29-21-35-32-14-8-7-13-31(29)32)36-34(41)25-38-18-16-37(17-19-38)22-27-10-4-3-5-11-27/h3-15,21,30,35H,16-20,22-25H2,1-2H3,(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tachykinin receptor 1 in rat brain using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50281729 ((4R,5S)-3-Oxo-4,5-diphenyl-pyrazolidine-1-carbothi...) Show SMILES FC(F)(F)c1cc(NC(=S)N2NC(=O)[C@@H]([C@H]2c2ccccc2)c2ccccc2)ccc1Cl Show InChI InChI=1S/C23H17ClF3N3OS/c24-18-12-11-16(13-17(18)23(25,26)27)28-22(32)30-20(15-9-5-2-6-10-15)19(21(31)29-30)14-7-3-1-4-8-14/h1-13,19-20H,(H,28,32)(H,29,31)/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [3H]-L-364,718 to Cholecystokinin type A receptor in rat pancreas				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50092155 ((4S,5R)-3-Oxo-4,5-diphenyl-pyrazolidine-1-carboxyl...) Show SMILES Brc1ccc(NC(=O)N2NC(=O)[C@H]([C@@H]2c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type B receptor in mouse brain at a pH of 6.5				Bioorg Med Chem Lett 3: 875-880 (1993) Article DOI: 10.1016/S0960-894X(00)80684-8 BindingDB Entry DOI: 10.7270/Q21C1WTM
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50049333 (CHEMBL162330 | N-[1-[(Acetyl-cyclohexylmethyl-amin...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)CC1CCCCC1 Show InChI InChI=1S/C32H43N5O2/c1-25(38)37(22-26-10-4-2-5-11-26)23-28(20-27-21-33-31-15-9-8-14-30(27)31)34-32(39)24-35-16-18-36(19-17-35)29-12-6-3-7-13-29/h3,6-9,12-15,21,26,28,33H,2,4-5,10-11,16-20,22-24H2,1H3,(H,34,39)	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	21.9	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
					More data for this Ligand-Target Pair

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