null

SMILES: O=C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=JMCHMBYLNMYYFC-UIOOFZCWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029848   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50029848 (Benzoic acid (2S,3S)-2-benzhydryl-1-aza-bicyclo[2....) Show SMILES O=C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:3.2,10.12,(4.53,2.33,;3.2,1.56,;3.18,.02,;1.85,-.75,;.52,.02,;-.81,-.75,;-.81,-2.29,;.52,-3.06,;1.07,-2.08,;-.26,-1.31,;1.85,-2.29,;3.18,-3.06,;4.51,-2.29,;4.51,-.75,;5.84,.02,;7.19,-.75,;7.19,-2.29,;5.84,-3.06,;3.18,-4.6,;4.51,-5.37,;4.51,-6.91,;3.18,-7.68,;1.84,-6.91,;1.84,-5.37,;1.85,2.33,;1.87,3.89,;.54,4.64,;-.79,3.89,;-.79,2.33,;.54,1.56,)| Show InChI InChI=1S/C27H27NO2/c29-27(23-14-8-3-9-15-23)30-26-22-16-18-28(19-17-22)25(26)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2/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))	BDBM50029848 (Benzoic acid (2S,3S)-2-benzhydryl-1-aza-bicyclo[2....) Show SMILES O=C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:3.2,10.12,(4.53,2.33,;3.2,1.56,;3.18,.02,;1.85,-.75,;.52,.02,;-.81,-.75,;-.81,-2.29,;.52,-3.06,;1.07,-2.08,;-.26,-1.31,;1.85,-2.29,;3.18,-3.06,;4.51,-2.29,;4.51,-.75,;5.84,.02,;7.19,-.75,;7.19,-2.29,;5.84,-3.06,;3.18,-4.6,;4.51,-5.37,;4.51,-6.91,;3.18,-7.68,;1.84,-6.91,;1.84,-5.37,;1.85,2.33,;1.87,3.89,;.54,4.64,;-.79,3.89,;-.79,2.33,;.54,1.56,)| Show InChI InChI=1S/C27H27NO2/c29-27(23-14-8-3-9-15-23)30-26-22-16-18-28(19-17-22)25(26)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2/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