Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50029881'   

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))	BDBM50029881 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES C(Cc1ccccc1)N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:16.19,9.9,(4.04,1.21,;4.98,2.42,;4.39,3.84,;2.87,4.04,;2.27,5.45,;3.2,6.69,;4.74,6.5,;5.33,5.06,;4.63,-.22,;3.3,-.99,;1.97,-.22,;1.19,-1.55,;2.52,-2.32,;1.97,-3.3,;.64,-2.53,;.64,-.99,;3.3,-2.53,;4.63,-3.3,;5.96,-2.53,;5.96,-1,;7.29,-.22,;8.63,-1,;8.63,-2.54,;7.29,-3.3,;4.63,-4.84,;5.96,-5.61,;5.96,-7.15,;4.63,-7.92,;3.29,-7.15,;3.29,-5.61,)| Show InChI InChI=1S/C28H32N2/c1-4-10-22(11-5-1)16-19-29-27-25-17-20-30(21-18-25)28(27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-29H,16-21H2/t27-,28-/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	700	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))	BDBM50029881 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES C(Cc1ccccc1)N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:16.19,9.9,(4.04,1.21,;4.98,2.42,;4.39,3.84,;2.87,4.04,;2.27,5.45,;3.2,6.69,;4.74,6.5,;5.33,5.06,;4.63,-.22,;3.3,-.99,;1.97,-.22,;1.19,-1.55,;2.52,-2.32,;1.97,-3.3,;.64,-2.53,;.64,-.99,;3.3,-2.53,;4.63,-3.3,;5.96,-2.53,;5.96,-1,;7.29,-.22,;8.63,-1,;8.63,-2.54,;7.29,-3.3,;4.63,-4.84,;5.96,-5.61,;5.96,-7.15,;4.63,-7.92,;3.29,-7.15,;3.29,-5.61,)| Show InChI InChI=1S/C28H32N2/c1-4-10-22(11-5-1)16-19-29-27-25-17-20-30(21-18-25)28(27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-29H,16-21H2/t27-,28-/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	700	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