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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50178271   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))		BDBM50178271
PNG
((2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino...)
Show SMILES OCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1
Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-20-8-10-22(32-19-6-7-19)16(12-20)14-29-23-11-9-21-17(15-31)13-24(23,30-21)18-4-2-1-3-5-18/h1-5,8,10,12,17,19,21,23,29-31H,6-7,9,11,13-15H2
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MMDB

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PC cid
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Similars
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labelled substance P from cloned human NK1 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 811-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.026
BindingDB Entry DOI: 10.7270/Q2JW8DGT
More data for this
Ligand-Target Pair