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BDBM50029847 2-Benzhydryl-3-(3-iodo-5-methyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane::CHEMBL263795

SMILES: Cc1cc(I)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1

InChI Key: InChIKey=LLUKLOGVWWPZKG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029847   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))		BDBM50029847
PNG
(2-Benzhydryl-3-(3-iodo-5-methyl-benzyloxy)-1-aza-b...)
Show SMILES Cc1cc(I)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1 |(11.58,-.05,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;14.24,-4.64,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;11.66,-9.2,;12.99,-8.44,;12.99,-6.9,;11.66,-6.12,;10.33,-6.9,;8.99,-10.74,;10.33,-11.5,;10.33,-13.04,;8.99,-13.81,;7.65,-13.04,;7.65,-11.5,;10.26,-2.33,)|
Show InChI InChI=1S/C28H30INO/c1-20-16-21(18-25(29)17-20)19-31-28-24-12-14-30(15-13-24)27(28)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,16-18,24,26-28H,12-15,19H2,1H3
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PubMed
n/an/a 0.320n/an/an/an/an/an/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