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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.8
BDBM430663

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM430663
PNG
((3-(2-(4-chlorophenyl)thiazol-4-yl)-5,6-dihydro-[1...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1csc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClFN5OS/c22-15-5-1-13(2-6-15)20-24-17(12-30-20)19-26-25-18-11-27(9-10-28(18)19)21(29)14-3-7-16(23)8-4-14/h1-8,12H,9-11H2
PDB

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US Patent
<500n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...


US Patent US10544150 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4N7G
More data for this
Ligand-Target Pair