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SMILES: CC1(CC1)C(=O)N1CCN(CC1)C(=O)N1C[C@H](c2ccc(Cl)cc2)[C@@](C)(COc2ccc(Cl)cn2)C1

InChI Key: InChIKey=FGKABCDGMSEXPW-AJTFRIOCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100764   
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))		BDBM100764
PNG
(US8507535, 3)
Show SMILES CC1(CC1)C(=O)N1CCN(CC1)C(=O)N1C[C@H](c2ccc(Cl)cc2)[C@@](C)(COc2ccc(Cl)cn2)C1 |r|
Show InChI InChI=1S/C27H32Cl2N4O3/c1-26(9-10-26)24(34)31-11-13-32(14-12-31)25(35)33-16-22(19-3-5-20(28)6-4-19)27(2,17-33)18-36-23-8-7-21(29)15-30-23/h3-8,15,22H,9-14,16-18H2,1-2H3/t22-,27-/m1/s1
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Similars
US Patent
 7.20n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Competition binding assay using hNK3 receptor.

US Patent US8507535 (2013)


BindingDB Entry DOI: 10.7270/Q27H1H67
More data for this
Ligand-Target Pair