Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50002653'   

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))	BDBM50002653 (((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:17.20,wD:10.10,(24.76,-4.86,;23.43,-4.09,;23.45,-2.55,;24.78,-1.78,;24.79,-.24,;23.43,.53,;22.12,-.24,;22.12,-1.78,;20.77,-2.54,;20.77,-4.09,;19.44,-4.85,;18.11,-4.08,;16.78,-4.85,;16.78,-6.39,;18.11,-7.16,;17.53,-6.17,;18.88,-5.41,;19.44,-6.39,;20.77,-7.17,;20.77,-8.71,;22.1,-9.47,;22.1,-11.01,;20.77,-11.78,;19.44,-11.01,;19.44,-9.47,;22.31,-7.16,;23.08,-8.5,;24.62,-8.5,;25.39,-7.17,;24.62,-5.83,;23.08,-5.84,)| 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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against tachykinin receptor 1				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50002653 (((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:17.20,wD:10.10,(24.76,-4.86,;23.43,-4.09,;23.45,-2.55,;24.78,-1.78,;24.79,-.24,;23.43,.53,;22.12,-.24,;22.12,-1.78,;20.77,-2.54,;20.77,-4.09,;19.44,-4.85,;18.11,-4.08,;16.78,-4.85,;16.78,-6.39,;18.11,-7.16,;17.53,-6.17,;18.88,-5.41,;19.44,-6.39,;20.77,-7.17,;20.77,-8.71,;22.1,-9.47,;22.1,-11.01,;20.77,-11.78,;19.44,-11.01,;19.44,-9.47,;22.31,-7.16,;23.08,-8.5,;24.62,-8.5,;25.39,-7.17,;24.62,-5.83,;23.08,-5.84,)| 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 PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand				Bioorg Med Chem Lett 2: 559-564 (1992) Article DOI: 10.1016/S0960-894X(01)81197-5 BindingDB Entry DOI: 10.7270/Q2N01717
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50002653 (((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:17.20,wD:10.10,(24.76,-4.86,;23.43,-4.09,;23.45,-2.55,;24.78,-1.78,;24.79,-.24,;23.43,.53,;22.12,-.24,;22.12,-1.78,;20.77,-2.54,;20.77,-4.09,;19.44,-4.85,;18.11,-4.08,;16.78,-4.85,;16.78,-6.39,;18.11,-7.16,;17.53,-6.17,;18.88,-5.41,;19.44,-6.39,;20.77,-7.17,;20.77,-8.71,;22.1,-9.47,;22.1,-11.01,;20.77,-11.78,;19.44,-11.01,;19.44,-9.47,;22.31,-7.16,;23.08,-8.5,;24.62,-8.5,;25.39,-7.17,;24.62,-5.83,;23.08,-5.84,)| 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 PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand				J Med Chem 35: 2591-600 (1992) BindingDB Entry DOI: 10.7270/Q2SJ1JJF
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002653 (((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:17.20,wD:10.10,(24.76,-4.86,;23.43,-4.09,;23.45,-2.55,;24.78,-1.78,;24.79,-.24,;23.43,.53,;22.12,-.24,;22.12,-1.78,;20.77,-2.54,;20.77,-4.09,;19.44,-4.85,;18.11,-4.08,;16.78,-4.85,;16.78,-6.39,;18.11,-7.16,;17.53,-6.17,;18.88,-5.41,;19.44,-6.39,;20.77,-7.17,;20.77,-8.71,;22.1,-9.47,;22.1,-11.01,;20.77,-11.78,;19.44,-11.01,;19.44,-9.47,;22.31,-7.16,;23.08,-8.5,;24.62,-8.5,;25.39,-7.17,;24.62,-5.83,;23.08,-5.84,)| 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 GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligand				Bioorg Med Chem Lett 2: 559-564 (1992) Article DOI: 10.1016/S0960-894X(01)81197-5 BindingDB Entry DOI: 10.7270/Q2N01717
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50002653 (((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:17.20,wD:10.10,(24.76,-4.86,;23.43,-4.09,;23.45,-2.55,;24.78,-1.78,;24.79,-.24,;23.43,.53,;22.12,-.24,;22.12,-1.78,;20.77,-2.54,;20.77,-4.09,;19.44,-4.85,;18.11,-4.08,;16.78,-4.85,;16.78,-6.39,;18.11,-7.16,;17.53,-6.17,;18.88,-5.41,;19.44,-6.39,;20.77,-7.17,;20.77,-8.71,;22.1,-9.47,;22.1,-11.01,;20.77,-11.78,;19.44,-11.01,;19.44,-9.47,;22.31,-7.16,;23.08,-8.5,;24.62,-8.5,;25.39,-7.17,;24.62,-5.83,;23.08,-5.84,)| 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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Antagonist activity at His6-tagged NK1 receptor (unknown origin) expressed in CHO cells assessed as inhibition of substance-P-induced IP1 accumulatio...				Eur J Med Chem 138: 644-660 (2017) Article DOI: 10.1016/j.ejmech.2017.06.056 BindingDB Entry DOI: 10.7270/Q2930WSH
					More data for this Ligand-Target Pair