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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 = 'BDBM233263'   
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))
BDBM233263
PNG
(US9346786, 67)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H34ClF2N3O4/c1-2-36(30(39)40-23-9-7-22(32)8-10-23)27-18-35(17-24(27)21-6-11-25(31)26(33)16-21)29(38)20-12-14-34(15-13-20)28(37)19-4-3-5-19/h6-11,16,19-20,24,27H,2-5,12-15,17-18H2,1H3/t24-,27+/m0/s1
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PC cid
PC sid
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US Patent
2 -46.2n/an/an/an/an/a7.44



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 US9346786 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BPC
More data for this
Ligand-Target Pair