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SMILES: CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)C#N)C(=O)Oc1ccc(F)cc1

InChI Key: InChIKey=WVXVWLFBEVQQOL-SQHAQQRYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 109736   
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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109736
PNG
(US8618303, 26)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)C#N)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H23ClFN3O3/c1-27(20-7-9-21(28)10-8-20)17-32(25(33)19-5-3-18(15-30)4-6-19)16-24(27)31(2)26(34)35-23-13-11-22(29)12-14-23/h3-14,24H,16-17H2,1-2H3/t24-,27+/m1/s1
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Similars
US Patent
 629n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair