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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 = 'BDBM109727'   
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))
BDBM109727
PNG
(US8618303, 17)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1noc(C)n1 |r|
Show InChI InChI=1S/C29H26ClFN4O4/c1-18-32-26(33-39-18)20-4-6-21(7-5-20)27(36)35-16-25(19-8-10-22(30)11-9-19)29(2,17-35)34(3)28(37)38-24-14-12-23(31)13-15-24/h4-15,25H,16-17H2,1-3H3/t25-,29+/m1/s1
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PC cid
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US Patent
35.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...


US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair