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Compile Data Set for Download or QSAR

Found 23 hits of ki for monomerid = 50081195   
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))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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13n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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13n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NK3R by radioligand binding assay


ACS Med Chem Lett 6: 736-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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16n/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))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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16n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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16n/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))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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16n/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))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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US Patent
16n/an/an/an/an/an/a7.4n/a



Ogeda SA.

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 US10065961 (2018)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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16n/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))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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16n/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


(Macaca mulatta)
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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20n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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76n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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76n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


ACS Med Chem Lett 6: 736-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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79n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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1.26E+4n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [125I]-neurokinin A from human NK2R after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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1.26E+4n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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1.27E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...


US Patent US10683295 (2020)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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1.27E+4 -27.9n/an/an/an/an/a7.425



Ogeda SA.

US Patent


Assay Description
The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


US Patent US10065961 (2018)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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US Patent
1.27E+4 -27.9n/an/an/an/an/a7.425



Euroscreen S.A.

US Patent


Assay Description
The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...


US Patent US9475814 (2016)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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US Patent
1.27E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...


US Patent US10941151 (2021)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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US Patent
1.40E+4 -27.7n/an/an/an/an/a7.425



Euroscreen S.A.

US Patent


Assay Description
The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


US Patent US9475814 (2016)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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US Patent
1.40E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...


US Patent US10941151 (2021)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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US Patent
1.40E+4 -27.7n/an/an/an/an/a7.425



Ogeda SA.

US Patent


Assay Description
The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...


US Patent US10065961 (2018)


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


(Homo sapiens (Human))
BDBM50081195
PNG
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
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US Patent
1.40E+4n/an/an/an/an/an/an/an/a



Ogeda SA

US Patent


Assay Description
NK2: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...


US Patent US10683295 (2020)


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