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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50290304'   
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
Substance-K receptor


(Mus musculus)		BDBM50290304
PNG
(1-{2-[3-(4-Fluoro-phenyl)-1-(3,4,5-trimethoxy-benz...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(F)cc1
Show InChI InChI=1S/C34H40FN3O5/c1-41-28-21-24(22-29(42-2)30(28)43-3)31(39)38-20-14-33(23-38,25-9-11-27(35)12-10-25)13-17-37-18-15-34(16-19-37,32(36)40)26-7-5-4-6-8-26/h4-12,21-22H,13-20,23H2,1-3H3,(H2,36,40)
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Similars
Article
n/an/a 235n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair