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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 = 'BDBM50003007'   
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))
BDBM50003007
PNG
(CHEMBL237082)
Show SMILES CN1CCN(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C33H43N5O3S/c1-37-19-21-38(22-20-37)18-10-17-34-30(39)27(23-25-11-4-2-5-12-25)35-32(41)33(15-8-3-9-16-33)36-31(40)29-24-26-13-6-7-14-28(26)42-29/h2,4-7,11-14,24,27H,3,8-10,15-23H2,1H3,(H,34,39)(H,35,41)(H,36,40)/t27-/m0/s1
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Article
PubMed
100n/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