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BDBM50357179 CHEMBL1917846

SMILES: CCNC(=O)N1CC[C@@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@@H](C1)c1ccccc1

InChI Key: InChIKey=HIHKWWMEJLAOLH-VQTJNVASSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357179   
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
Neurokinin 1 receptor


(Homo sapiens (Human))		BDBM50357179
PNG
(CHEMBL1917846)
Show SMILES CCNC(=O)N1CC[C@@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C23H28F3N3O3/c1-3-27-22(30)29-12-11-20(19(15-29)16-7-5-4-6-8-16)28-14-17-13-18(32-23(24,25)26)9-10-21(17)31-2/h4-10,13,19-20,28H,3,11-12,14-15H2,1-2H3,(H,27,30)/t19-,20+/m0/s1
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Similars
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting

Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair