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Found 1627 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor'   
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))
BDBM233239
PNG
(US9346786, 43)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(nc1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF2N5O3/c1-2-39(31(41)42-25-8-4-22(33)5-9-25)29-19-38(18-26(29)21-3-10-27(32)28(34)15-21)30(40)20-11-13-37(14-12-20)24-7-6-23(16-35)36-17-24/h3-10,15,17,20,26,29H,2,11-14,18-19H2,1H3/t26-,29+/m0/s1
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0.300 -50.5n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233255
PNG
(US9346786, 59)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H33ClF2N4O4/c1-3-39(32(42)43-25-8-6-24(34)7-9-25)29-19-38(18-26(29)22-4-10-27(33)28(35)16-22)31(41)21-12-14-37(15-13-21)30-11-5-23(17-36-30)20(2)40/h4-11,16-17,21,26,29H,3,12-15,18-19H2,1-2H3/t26-,29+/m0/s1
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0.5 -49.3n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233309
PNG
(US9346786, 113)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30Cl3FN4O3/c1-2-38(30(40)41-23-7-5-22(34)6-8-23)27-18-37(17-24(27)20-3-9-25(32)26(33)15-20)29(39)19-11-13-36(14-12-19)28-10-4-21(31)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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0.5 -49.3n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233312
PNG
(US9346786, 116)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H33Cl2FN4O4/c1-3-39(32(42)43-25-8-6-24(35)7-9-25)29-19-38(18-26(29)22-4-10-27(33)28(34)16-22)31(41)21-12-14-37(15-13-21)30-11-5-23(17-36-30)20(2)40/h4-11,16-17,21,26,29H,3,12-15,18-19H2,1-2H3/t26-,29+/m0/s1
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0.5 -49.3n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233237
PNG
(US9346786, 41)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30Cl2F2N4O3/c1-2-38(30(40)41-23-7-5-22(33)6-8-23)27-18-37(17-24(27)20-3-9-25(32)26(34)15-20)29(39)19-11-13-36(14-12-19)28-10-4-21(31)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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0.600 -48.9n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233253
PNG
(US9346786, 57)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(nn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H29ClF2N6O3/c1-2-39(30(41)42-23-7-4-21(32)5-8-23)27-18-38(17-24(27)20-3-9-25(31)26(33)15-20)29(40)19-11-13-37(14-12-19)28-10-6-22(16-34)35-36-28/h3-10,15,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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0.700 -48.6n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233236
PNG
(US9346786, 40)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF2N5O3/c1-2-39(31(41)42-24-7-5-23(33)6-8-24)28-19-38(18-25(28)22-4-9-26(32)27(34)15-22)30(40)21-11-13-37(14-12-21)29-10-3-20(16-35)17-36-29/h3-10,15,17,21,25,28H,2,11-14,18-19H2,1H3/t25-,28+/m0/s1
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0.700 -48.6n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233259
PNG
(US9346786, 63)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H33ClF2N4O5S/c1-3-38(31(40)43-23-7-5-22(33)6-8-23)28-19-37(18-25(28)21-4-10-26(32)27(34)16-21)30(39)20-12-14-36(15-13-20)29-11-9-24(17-35-29)44(2,41)42/h4-11,16-17,20,25,28H,3,12-15,18-19H2,1-2H3/t25-,28+/m0/s1
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0.700 -48.6n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233257
PNG
(US9346786, 61)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1cnc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H29ClF2N6O3/c1-2-39(30(41)42-23-6-4-21(32)5-7-23)27-18-38(17-24(27)20-3-8-25(31)26(33)13-20)29(40)19-9-11-37(12-10-19)28-16-35-22(14-34)15-36-28/h3-8,13,15-16,19,24,27H,2,9-12,17-18H2,1H3/t24-,27+/m0/s1
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0.800 -48.3n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233308
PNG
(US9346786, 112)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30Cl2F2N4O3/c1-2-38(30(40)41-23-7-4-21(33)5-8-23)27-18-37(17-24(27)20-3-9-25(31)26(32)15-20)29(39)19-11-13-36(14-12-19)28-10-6-22(34)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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0.800 -48.3n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233311
PNG
(US9346786, 115)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(N)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H32Cl2FN5O4/c1-2-39(31(42)43-23-7-5-22(34)6-8-23)27-18-38(17-24(27)20-3-9-25(32)26(33)15-20)30(41)19-11-13-37(14-12-19)28-10-4-21(16-36-28)29(35)40/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3,(H2,35,40)/t24-,27+/m0/s1
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0.900 -48.0n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233242
PNG
(US9346786, 46)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClF3N4O3/c1-2-38(30(40)41-23-7-4-21(32)5-8-23)27-18-37(17-24(27)20-3-9-25(31)26(34)15-20)29(39)19-11-13-36(14-12-19)28-10-6-22(33)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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1 -47.8n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233262
PNG
(US9346786, 66)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H32ClF4N3O4/c1-2-38(29(41)42-22-6-4-21(32)5-7-22)26-17-37(16-23(26)19-3-8-24(31)25(33)13-19)27(39)18-9-11-36(12-10-18)28(40)20-14-30(34,35)15-20/h3-8,13,18,20,23,26H,2,9-12,14-17H2,1H3/t23-,26+/m0/s1
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1 -47.8n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233197
PNG
(US9346786, 1 | US9346786, 5)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H34Cl2FN3O4/c1-3-36(29(39)40-22-7-5-21(33)6-8-22)26-18-35(17-23(26)20-4-9-24(31)25(32)16-20)27(37)19-10-14-34(15-11-19)28(38)30(2)12-13-30/h4-9,16,19,23,26H,3,10-15,17-18H2,1-2H3/t23-,26+/m0/s1
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1 -47.8n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233310
PNG
(US9346786, 114)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30Cl2F4N4O3/c1-2-41(30(43)44-23-7-5-22(34)6-8-23)27-18-40(17-24(27)20-3-9-25(32)26(33)15-20)29(42)19-11-13-39(14-12-19)28-10-4-21(16-38-28)31(35,36)37/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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1.60 -46.7n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233316
PNG
(US9346786, 120)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H33ClF2N4O4/c1-3-39(32(42)43-25-8-6-24(34)7-9-25)29-19-38(18-26(29)22-4-10-28(35)27(33)16-22)31(41)21-12-14-37(15-13-21)30-11-5-23(17-36-30)20(2)40/h4-11,16-17,21,26,29H,3,12-15,18-19H2,1-2H3/t26-,29+/m0/s1
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1.70 -46.5n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233305
PNG
(US9346786, 109)
Show SMILES CCC([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(N)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H33ClF2N4O4/c1-2-24(32(42)43-23-7-5-22(34)6-8-23)26-18-39(17-25(26)20-3-9-27(33)28(35)15-20)31(41)19-11-13-38(14-12-19)29-10-4-21(16-37-29)30(36)40/h3-10,15-16,19,24-26H,2,11-14,17-18H2,1H3,(H2,36,40)/t24?,25-,26-/m0/s1
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1.70 -46.5n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233314
PNG
(US9346786, 118)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30Cl2F2N4O3/c1-2-38(30(40)41-23-7-5-22(33)6-8-23)27-18-37(17-24(27)20-3-9-26(34)25(32)15-20)29(39)19-11-13-36(14-12-19)28-10-4-21(31)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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1.80 -46.4n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233276
PNG
(US9346786, 80)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C27H30ClF2N3O4/c1-3-33(27(36)37-21-7-5-20(29)6-8-21)25-16-32(15-22(25)19-4-9-23(28)24(30)14-19)26(35)18-10-12-31(13-11-18)17(2)34/h4-9,14,18,22,25H,3,10-13,15-16H2,1-2H3/t22-,25+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233197
PNG
(US9346786, 1 | US9346786, 5)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H34Cl2FN3O4/c1-3-36(29(39)40-22-7-5-21(33)6-8-22)26-18-35(17-23(26)20-4-9-24(31)25(32)16-20)27(37)19-10-14-34(15-11-19)28(38)30(2)12-13-30/h4-9,16,19,23,26H,3,10-15,17-18H2,1-2H3/t23-,26+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233212
PNG
(US9346786, 16)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H34ClFN4O5S/c1-3-37(31(39)42-25-10-8-24(33)9-11-25)28-20-36(19-27(28)21-4-6-23(32)7-5-21)30(38)22-14-16-35(17-15-22)29-13-12-26(18-34-29)43(2,40)41/h4-13,18,22,27-28H,3,14-17,19-20H2,1-2H3/t27-,28+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233213
PNG
(US9346786, 17)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1cnc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClFN6O3/c1-2-38(30(40)41-25-9-7-23(32)8-10-25)27-19-37(18-26(27)20-3-5-22(31)6-4-20)29(39)21-11-13-36(14-12-21)28-17-34-24(15-33)16-35-28/h3-10,16-17,21,26-27H,2,11-14,18-19H2,1H3/t26-,27+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233214
PNG
(US9346786, 18)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(nn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClFN6O3/c1-2-38(30(40)41-25-10-7-23(32)8-11-25)27-19-37(18-26(27)20-3-5-22(31)6-4-20)29(39)21-13-15-36(16-14-21)28-12-9-24(17-33)34-35-28/h3-12,21,26-27H,2,13-16,18-19H2,1H3/t26-,27+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233217
PNG
(US9346786, 21)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H31ClFN5O3/c1-2-38(31(40)41-26-10-8-25(33)9-11-26)28-20-37(19-27(28)22-4-6-24(32)7-5-22)30(39)23-13-15-36(16-14-23)29-12-3-21(17-34)18-35-29/h3-12,18,23,27-28H,2,13-16,19-20H2,1H3/t27-,28+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233238
PNG
(US9346786, 42)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF5N4O3/c1-2-41(30(43)44-23-7-5-22(33)6-8-23)27-18-40(17-24(27)20-3-9-25(32)26(34)15-20)29(42)19-11-13-39(14-12-19)28-10-4-21(16-38-28)31(35,36)37/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233268
PNG
(US9346786, 72)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(CC1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H31ClF2N4O4/c1-2-37(29(40)41-22-6-4-21(32)5-7-22)26-17-36(16-23(26)20-3-8-24(31)25(33)15-20)27(38)19-9-13-35(14-10-19)28(39)30(18-34)11-12-30/h3-8,15,19,23,26H,2,9-14,16-17H2,1H3/t23-,26+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233265
PNG
(US9346786, 69)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CC(F)C1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H33ClF3N3O4/c1-2-37(30(40)41-23-6-4-21(32)5-7-23)27-17-36(16-24(27)19-3-8-25(31)26(34)15-19)28(38)18-9-11-35(12-10-18)29(39)20-13-22(33)14-20/h3-8,15,18,20,22,24,27H,2,9-14,16-17H2,1H3/t20?,22?,24-,27+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233264
PNG
(US9346786, 68)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(CCC1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H33ClF5N3O4/c1-2-40(29(43)44-22-7-5-21(33)6-8-22)26-18-39(17-23(26)20-4-9-24(32)25(34)16-20)27(41)19-10-14-38(15-11-19)28(42)30(12-3-13-30)31(35,36)37/h4-9,16,19,23,26H,2-3,10-15,17-18H2,1H3/t23-,26+/m0/s1
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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
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
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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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233247
PNG
(US9346786, 51)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(nc1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30F3N5O3/c1-2-39(31(41)42-25-8-4-22(32)5-9-25)29-19-38(18-26(29)21-3-10-27(33)28(34)15-21)30(40)20-11-13-37(14-12-20)24-7-6-23(16-35)36-17-24/h3-10,15,17,20,26,29H,2,11-14,18-19H2,1H3/t26-,29+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233244
PNG
(US9346786, 48)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30F3N5O3/c1-2-39(31(41)42-24-7-5-23(32)6-8-24)28-19-38(18-25(28)22-4-9-26(33)27(34)15-22)30(40)21-11-13-37(14-12-21)29-10-3-20(16-35)17-36-29/h3-10,15,17,21,25,28H,2,11-14,18-19H2,1H3/t25-,28+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233240
PNG
(US9346786, 44)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H34ClF2N3O4/c1-3-36(29(39)40-22-7-5-21(32)6-8-22)26-18-35(17-23(26)20-4-9-24(31)25(33)16-20)27(37)19-10-14-34(15-11-19)28(38)30(2)12-13-30/h4-9,16,19,23,26H,3,10-15,17-18H2,1-2H3/t23-,26+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233243
PNG
(US9346786, 47)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(C)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H33ClF2N4O3/c1-3-38(31(40)41-24-8-6-23(33)7-9-24)28-19-37(18-25(28)22-5-10-26(32)27(34)16-22)30(39)21-12-14-36(15-13-21)29-11-4-20(2)17-35-29/h4-11,16-17,21,25,28H,3,12-15,18-19H2,1-2H3/t25-,28+/m0/s1
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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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233283
PNG
(US9346786, 87)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H35ClFN3O4/c1-2-35(30(38)39-25-12-10-24(32)11-13-25)27-19-34(18-26(27)20-6-8-23(31)9-7-20)29(37)22-14-16-33(17-15-22)28(36)21-4-3-5-21/h6-13,21-22,26-27H,2-5,14-19H2,1H3/t26-,27+/m0/s1
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2.10 -46.0n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233286
PNG
(US9346786, 90)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H33ClF3N3O4/c1-2-37(29(40)41-24-9-7-23(32)8-10-24)26-18-36(17-25(26)19-3-5-22(31)6-4-19)27(38)20-11-13-35(14-12-20)28(39)21-15-30(33,34)16-21/h3-10,20-21,25-26H,2,11-18H2,1H3/t25-,26+/m0/s1
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2.40 -45.7n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233241
PNG
(US9346786, 45)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF2N5O3/c1-2-39(31(41)42-24-6-4-23(33)5-7-24)28-19-38(18-25(28)22-3-8-26(32)27(34)16-22)30(40)21-10-13-37(14-11-21)29-15-20(17-35)9-12-36-29/h3-9,12,15-16,21,25,28H,2,10-11,13-14,18-19H2,1H3/t25-,28+/m0/s1
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3 -45.2n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233216
PNG
(US9346786, 20)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H31ClF4N4O3/c1-2-40(30(42)43-25-10-8-24(33)9-11-25)27-19-39(18-26(27)20-3-6-23(32)7-4-20)29(41)21-13-15-38(16-14-21)28-12-5-22(17-37-28)31(34,35)36/h3-12,17,21,26-27H,2,13-16,18-19H2,1H3/t26-,27+/m0/s1
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3 -45.2n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM251923
PNG
(BDBM272562 | US9475814, 25)
Show SMILES CC(C)c1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C22H22N6OS2/c1-13(2)18-23-21(31-26-18)20-25-24-19-14(3)27(10-11-28(19)20)22(29)16-8-6-15(7-9-16)17-5-4-12-30-17/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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3n/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))
BDBM50081196
PNG
(CHEMBL3422015 | US10065961, Compound 13 | US947581...)
Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
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US Patent
3n/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))
BDBM233261
PNG
(US9346786, 65)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(C)COC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H34ClF2N3O5/c1-3-36(29(39)41-22-7-5-21(32)6-8-22)26-16-35(15-23(26)20-4-9-24(31)25(33)14-20)27(37)19-10-12-34(13-11-19)28(38)30(2)17-40-18-30/h4-9,14,19,23,26H,3,10-13,15-18H2,1-2H3/t23-,26+/m0/s1
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3 -45.2n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233210
PNG
(US9346786, 14)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H34ClFN4O4/c1-3-38(32(41)42-27-11-9-26(34)10-12-27)29-20-37(19-28(29)22-4-7-25(33)8-5-22)31(40)23-14-16-36(17-15-23)30-13-6-24(18-35-30)21(2)39/h4-13,18,23,28-29H,3,14-17,19-20H2,1-2H3/t28-,29+/m0/s1
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3 -45.2n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233271
PNG
(US9346786, 75)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF3N4O4/c1-2-39(31(42)43-23-7-4-21(33)5-8-23)28-18-38(17-24(28)20-3-9-25(32)26(35)15-20)29(40)19-11-13-37(14-12-19)30(41)27-10-6-22(34)16-36-27/h3-10,15-16,19,24,28H,2,11-14,17-18H2,1H3/t24-,28+/m0/s1
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3 -45.2n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233269
PNG
(US9346786, 73)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CCOC(C)(C)C1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C33H40ClF2N3O5/c1-4-39(32(42)44-25-8-6-24(35)7-9-25)29-20-38(19-26(29)22-5-10-27(34)28(36)17-22)30(40)21-11-14-37(15-12-21)31(41)23-13-16-43-33(2,3)18-23/h5-10,17,21,23,26,29H,4,11-16,18-20H2,1-3H3/t23?,26-,29+/m0/s1
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3 -45.2n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233313
PNG
(US9346786, 117)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClF3N4O3/c1-2-38(30(40)41-23-7-4-21(32)5-8-23)27-18-37(17-24(27)20-3-9-26(34)25(31)15-20)29(39)19-11-13-36(14-12-19)28-10-6-22(33)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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3.30 -45.0n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233285
PNG
(US9346786, 89)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC(F)C1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H34ClF2N3O4/c1-2-36(30(39)40-25-9-7-23(32)8-10-25)27-18-35(17-26(27)19-3-5-22(31)6-4-19)28(37)20-11-13-34(14-12-20)29(38)21-15-24(33)16-21/h3-10,20-21,24,26-27H,2,11-18H2,1H3/t21?,24?,26-,27+/m0/s1
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3.30 -45.0n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233292
PNG
(US9346786, 96)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC1(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C29H31ClF3N3O4/c1-2-36(28(39)40-22-9-7-21(31)8-10-22)25-17-35(16-23(25)18-3-5-20(30)6-4-18)26(37)19-11-13-34(14-12-19)27(38)24-15-29(24,32)33/h3-10,19,23-25H,2,11-17H2,1H3/t23-,24?,25+/m0/s1
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3.40 -44.9n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233296
PNG
(US9346786, 100)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC1(C)C)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H37ClFN3O4/c1-4-36(30(39)40-24-11-9-23(33)10-12-24)27-19-35(18-25(27)20-5-7-22(32)8-6-20)28(37)21-13-15-34(16-14-21)29(38)26-17-31(26,2)3/h5-12,21,25-27H,4,13-19H2,1-3H3/t25-,26?,27+/m0/s1
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3.60 -44.8n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233315
PNG
(US9346786, 119)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF5N4O3/c1-2-41(30(43)44-23-7-5-22(33)6-8-23)27-18-40(17-24(27)20-3-9-26(34)25(32)15-20)29(42)19-11-13-39(14-12-19)28-10-4-21(16-38-28)31(35,36)37/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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3.70 -44.7n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233279
PNG
(US9346786, 83)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)(C)O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C33H37ClF2N4O4/c1-4-40(32(42)44-25-9-7-24(35)8-10-25)29-20-39(19-26(29)22-5-11-27(34)28(36)17-22)31(41)21-13-15-38(16-14-21)30-12-6-23(18-37-30)33(2,3)43/h5-12,17-18,21,26,29,43H,4,13-16,19-20H2,1-3H3/t26-,29+/m0/s1
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3.80 -44.7n/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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233256
PNG
(US9346786, 60)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H33F3N4O4/c1-3-39(32(42)43-25-8-6-24(33)7-9-25)29-19-38(18-26(29)22-4-10-27(34)28(35)16-22)31(41)21-12-14-37(15-13-21)30-11-5-23(17-36-30)20(2)40/h4-11,16-17,21,26,29H,3,12-15,18-19H2,1-2H3/t26-,29+/m0/s1
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4 -44.6n/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
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