Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50029868'   

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))	BDBM50029868 (1-((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Nc1ccccc1 |wD:3.2,10.12,(3.09,1.89,;2.11,.69,;2.67,-.75,;1.33,-1.52,;,-.73,;-.79,-2.06,;.54,-2.83,;,-3.81,;-1.32,-3.06,;-1.32,-1.52,;1.33,-3.06,;2.67,-3.83,;4,-3.06,;4,-1.52,;5.33,-.75,;6.66,-1.52,;6.66,-3.06,;5.33,-3.83,;2.66,-5.37,;3.97,-6.12,;4,-7.66,;2.66,-8.43,;1.31,-7.66,;1.31,-6.12,;.59,.93,;.03,2.37,;-1.47,2.61,;-2.03,4.04,;-1.07,5.24,;.47,5.01,;1.01,3.56,)| Show InChI InChI=1S/C27H29N3O/c31-27(28-23-14-8-3-9-15-23)29-25-22-16-18-30(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H2,28,29,31)/t25-,26-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells				Bioorg Med Chem Lett 3: 1361-1366 (1993) Article DOI: 10.1016/S0960-894X(00)80349-2 BindingDB Entry DOI: 10.7270/Q2251J4R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029868 (1-((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Nc1ccccc1 |wD:3.2,10.12,(3.09,1.89,;2.11,.69,;2.67,-.75,;1.33,-1.52,;,-.73,;-.79,-2.06,;.54,-2.83,;,-3.81,;-1.32,-3.06,;-1.32,-1.52,;1.33,-3.06,;2.67,-3.83,;4,-3.06,;4,-1.52,;5.33,-.75,;6.66,-1.52,;6.66,-3.06,;5.33,-3.83,;2.66,-5.37,;3.97,-6.12,;4,-7.66,;2.66,-8.43,;1.31,-7.66,;1.31,-6.12,;.59,.93,;.03,2.37,;-1.47,2.61,;-2.03,4.04,;-1.07,5.24,;.47,5.01,;1.01,3.56,)| Show InChI InChI=1S/C27H29N3O/c31-27(28-23-14-8-3-9-15-23)29-25-22-16-18-30(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H2,28,29,31)/t25-,26-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair