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SMILES: COc1ccccc1CN[C@H]1CCCN[C@]11CCc2ccccc12

InChI Key: InChIKey=WLAPOEJOAMUPEB-SFTDATJTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213785   
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))		BDBM50213785
PNG
(CHEMBL91475)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@]11CCc2ccccc12
Show InChI InChI=1S/C21H26N2O/c1-24-19-10-5-3-8-17(19)15-22-20-11-6-14-23-21(20)13-12-16-7-2-4-9-18(16)21/h2-5,7-10,20,22-23H,6,11-15H2,1H3/t20-,21-/m0/s1
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Similars
Article
 40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes

Bioorg Med Chem Lett 5: 2671-2676 (1995)


Article DOI: 10.1016/0960-894X(95)00481-8
BindingDB Entry DOI: 10.7270/Q2V40V5B
More data for this
Ligand-Target Pair