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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50116728'   
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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50116728
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(...)
Show SMILES CCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](\C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show InChI InChI=1S/C37H42Cl4N6O4/c1-4-42-35(48)23-46-33-8-6-7-9-34(33)47(37(46)50)28-12-15-44(16-13-28)17-14-29(24-10-11-30(40)31(41)20-24)32(43-51-3)22-45(5-2)36(49)25-18-26(38)21-27(39)19-25/h6-11,18-21,28-29H,4-5,12-17,22-23H2,1-3H3,(H,42,48)/b43-32+/t29-/m1/s1
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PubMed
 281n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand

Bioorg Med Chem Lett 12: 2355-8 (2002)


BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair