BDBM50284274 (2S,3S)-2-Benzhydryl-1-ethoxycarbonylmethyl-3-(2-methoxy-benzylamino)-1-azonia-bicyclo[2.2.2]octane; bromide::CHEMBL278455

SMILES: CCOC(=O)C[N+]12CCC(CC1)[C@H](NCc1ccccc1OC)[C@@H]2C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=CZANCSDTAQEYEH-YRQCDHHQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50284274   

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))	BDBM50284274 ((2S,3S)-2-Benzhydryl-1-ethoxycarbonylmethyl-3-(2-m...) Show SMILES CCOC(=O)C[N+]12CCC(CC1)[C@H](NCc1ccccc1OC)[C@@H]2C(c1ccccc1)c1ccccc1 |wD:12.13,23.26,(-.96,-9.33,;.12,-10.42,;1.62,-10.01,;2.01,-8.53,;.92,-7.43,;3.5,-8.12,;3.88,-6.64,;2.57,-5.87,;2.57,-4.33,;3.92,-3.55,;3.16,-4.89,;4.65,-5.3,;5.21,-4.33,;6.56,-3.55,;6.57,-2.01,;7.9,-1.26,;7.9,.27,;9.23,1.04,;10.57,.27,;10.56,-1.27,;9.23,-2.04,;10.31,-3.13,;11.79,-2.71,;5.21,-5.87,;6.56,-6.64,;6.54,-8.18,;5.21,-8.95,;5.21,-10.49,;6.54,-11.26,;7.89,-10.49,;7.87,-8.95,;7.89,-5.87,;7.89,-4.34,;9.22,-3.55,;10.56,-4.34,;10.56,-5.88,;9.22,-6.64,)| Show InChI InChI=1S/C32H39N2O3/c1-3-37-29(35)23-34-20-18-26(19-21-34)31(33-22-27-16-10-11-17-28(27)36-2)32(34)30(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,26,30-33H,3,18-23H2,1-2H3/q+1/t26?,31-,32-,34?/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	32.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displacement of [125I]-Bolton-Hunter substance p from human IM-9 cells				Bioorg Med Chem Lett 4: 1153-1156 (1994) Article DOI: 10.1016/S0960-894X(01)80246-8 BindingDB Entry DOI: 10.7270/Q2VQ32N3
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