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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 251922   
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))
BDBM251922
PNG
(US10065961, Compound 22 | US10683295, Compound 22 ...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12,14H,10-11H2,1-3H3/t14-/m1/s1
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PC sid
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US Patent
21n/an/an/an/an/an/a7.4n/a



Euroscreen S.A.

US Patent


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


US Patent US9475814 (2016)


BindingDB Entry DOI: 10.7270/Q2B8571Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM251922
PNG
(US10065961, Compound 22 | US10683295, Compound 22 ...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12,14H,10-11H2,1-3H3/t14-/m1/s1
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US Patent
21n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vit...


US Patent US10941151 (2021)


BindingDB Entry DOI: 10.7270/Q2PC35G3
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM251922
PNG
(US10065961, Compound 22 | US10683295, Compound 22 ...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12,14H,10-11H2,1-3H3/t14-/m1/s1
PDB

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21n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vit...


US Patent US10683295 (2020)


BindingDB Entry DOI: 10.7270/Q2S75KC1
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM251922
PNG
(US10065961, Compound 22 | US10683295, Compound 22 ...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H21N5OS2/c1-13-15(3)30-21(23-13)20-25-24-19-14(2)26(10-11-27(19)20)22(28)17-8-6-16(7-9-17)18-5-4-12-29-18/h4-9,12,14H,10-11H2,1-3H3/t14-/m1/s1
PDB

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US Patent
21n/an/an/an/an/an/an/an/a



Ogeda SA.

US Patent


Assay Description
The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...


US Patent US10065961 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K4R
More data for this
Ligand-Target Pair