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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 = 'BDBM50002948'   
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


(Homo sapiens (Human))
BDBM50002948
PNG
(CHEMBL391710)
Show SMILES O=C(NC1CC1)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C28H31N3O3S/c32-25(29-21-13-14-21)22(17-19-9-3-1-4-10-19)30-27(34)28(15-7-2-8-16-28)31-26(33)24-18-20-11-5-6-12-23(20)35-24/h1,3-6,9-12,18,21-22H,2,7-8,13-17H2,(H,29,32)(H,30,34)(H,31,33)/t22-/m0/s1
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Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



Menarini Ricerche SpA

Curated by ChEMBL


Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells


Bioorg Med Chem Lett 17: 4841-4 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR
More data for this
Ligand-Target Pair