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Patent code US9346786

Compile Data Set for Download or QSAR
Found 123 hits of Enzyme Inhibition Constant Data   
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
Neurokinin 3 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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0.300n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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1.70n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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1.80n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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3n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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3.60n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233266
PNG
(US9346786, 70)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CC1(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C29H30ClF4N3O4/c1-2-37(28(40)41-20-6-4-19(31)5-7-20)25-16-36(15-21(25)18-3-8-23(30)24(32)13-18)26(38)17-9-11-35(12-10-17)27(39)22-14-29(22,33)34/h3-8,13,17,21-22,25H,2,9-12,14-16H2,1H3/t21-,22?,25+/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233235
PNG
(US9346786, 39)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H36ClF2N3O5/c1-5-36(29(39)40-22-9-7-21(32)8-10-22)26-18-35(17-23(26)20-6-11-24(31)25(33)16-20)27(37)19-12-14-34(15-13-19)28(38)41-30(2,3)4/h6-11,16,19,23,26H,5,12-15,17-18H2,1-4H3/t23-,26+/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233273
PNG
(US9346786, 77)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H31ClF3N3O4/c1-2-39(32(42)43-25-10-8-24(35)9-11-25)29-19-38(18-26(29)22-5-12-27(33)28(36)17-22)31(41)21-13-15-37(16-14-21)30(40)20-3-6-23(34)7-4-20/h3-12,17,21,26,29H,2,13-16,18-19H2,1H3/t26-,29+/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233267
PNG
(US9346786, 71)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H31ClF5N3O4/c1-2-39(28(42)43-21-6-4-20(32)5-7-21)25-17-38(16-22(25)19-3-8-23(31)24(33)15-19)26(40)18-9-13-37(14-10-18)27(41)29(11-12-29)30(34,35)36/h3-8,15,18,22,25H,2,9-14,16-17H2,1H3/t22-,25+/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233231
PNG
(US9346786, 35)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H31F2N5O3/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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233293
PNG
(US9346786, 97)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCOCC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H37ClFN3O5/c1-2-36(31(39)41-26-9-7-25(33)8-10-26)28-20-35(19-27(28)21-3-5-24(32)6-4-21)30(38)22-11-15-34(16-12-22)29(37)23-13-17-40-18-14-23/h3-10,22-23,27-28H,2,11-20H2,1H3/t27-,28+/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233294
PNG
(US9346786, 98)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCOC(C)(C)C1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C33H41ClFN3O5/c1-4-38(32(41)43-27-11-9-26(35)10-12-27)29-21-37(20-28(29)22-5-7-25(34)8-6-22)30(39)23-13-16-36(17-14-23)31(40)24-15-18-42-33(2,3)19-24/h5-12,23-24,28-29H,4,13-21H2,1-3H3/t24?,28-,29+/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233304
PNG
(US9346786, 108)
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/C32H36ClFN4O4/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/h4-13,18,21,23,28-29,39H,3,14-17,19-20H2,1-2H3/t21?,28-,29+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233295
PNG
(US9346786, 99)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(COC)CC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H37ClFN3O5/c1-3-36(30(39)41-25-10-8-24(33)9-11-25)27-19-35(18-26(27)21-4-6-23(32)7-5-21)28(37)22-12-16-34(17-13-22)29(38)31(14-15-31)20-40-2/h4-11,22,26-27H,3,12-20H2,1-2H3/t26-,27+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233306
PNG
(US9346786, 110)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H31Cl2FN4O3/c1-2-37(30(39)40-25-10-8-24(33)9-11-25)27-19-36(18-26(27)20-3-5-22(31)6-4-20)29(38)21-13-15-35(16-14-21)28-12-7-23(32)17-34-28/h3-12,17,21,26-27H,2,13-16,18-19H2,1H3/t26-,27+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233254
PNG
(US9346786, 58)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(nn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H29F3N6O3/c1-2-39(30(41)42-23-7-4-21(31)5-8-23)27-18-38(17-24(27)20-3-9-25(32)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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5n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233245
PNG
(US9346786, 49)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClF3N4O3/c1-2-38(30(40)41-23-7-5-22(32)6-8-23)27-18-37(17-24(27)20-3-9-25(33)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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5n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233274
PNG
(US9346786, 78)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1cnc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H29ClF5N5O4/c1-2-42(30(45)46-21-6-4-20(33)5-7-21)26-17-41(16-22(26)19-3-8-23(32)24(34)13-19)28(43)18-9-11-40(12-10-18)29(44)25-14-39-27(15-38-25)31(35,36)37/h3-8,13-15,18,22,26H,2,9-12,16-17H2,1H3/t22-,26+/m0/s1
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5n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233260
PNG
(US9346786, 64)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H33F3N4O5S/c1-3-38(31(40)43-23-7-5-22(32)6-8-23)28-19-37(18-25(28)21-4-10-26(33)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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5n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233284
PNG
(US9346786, 88)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(C)COC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H35ClFN3O5/c1-3-35(29(38)40-24-10-8-23(32)9-11-24)26-17-34(16-25(26)20-4-6-22(31)7-5-20)27(36)21-12-14-33(15-13-21)28(37)30(2)18-39-19-30/h4-11,21,25-26H,3,12-19H2,1-2H3/t25-,26+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233258
PNG
(US9346786, 62)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1cnc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H29F3N6O3/c1-2-39(30(41)42-23-6-4-21(31)5-7-23)27-18-38(17-24(27)20-3-8-25(32)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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6n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233319
PNG
(US9346786, 123)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(OC(C)=O)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H34ClFN4O5/c1-3-38(32(41)43-26-10-8-25(34)9-11-26)29-20-37(19-28(29)22-4-6-24(33)7-5-22)31(40)23-14-16-36(17-15-23)30-13-12-27(18-35-30)42-21(2)39/h4-13,18,23,28-29H,3,14-17,19-20H2,1-2H3/t28-,29+/m0/s1
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6n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233291
PNG
(US9346786, 95)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H32ClF4N3O4/c1-2-38(28(41)42-23-9-7-22(32)8-10-23)25-18-37(17-24(25)19-3-5-21(31)6-4-19)26(39)20-11-15-36(16-12-20)27(40)29(13-14-29)30(33,34)35/h3-10,20,24-25H,2,11-18H2,1H3/t24-,25+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233287
PNG
(US9346786, 91)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC(C1)OC)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H37ClFN3O5/c1-3-36(31(39)41-25-10-8-24(33)9-11-25)28-19-35(18-27(28)20-4-6-23(32)7-5-20)29(37)21-12-14-34(15-13-21)30(38)22-16-26(17-22)40-2/h4-11,21-22,26-28H,3,12-19H2,1-2H3/t22?,26?,27-,28+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233288
PNG
(US9346786, 92)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(CCC1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H34ClF4N3O4/c1-2-39(29(42)43-24-10-8-23(33)9-11-24)26-19-38(18-25(26)20-4-6-22(32)7-5-20)27(40)21-12-16-37(17-13-21)28(41)30(14-3-15-30)31(34,35)36/h4-11,21,25-26H,2-3,12-19H2,1H3/t25-,26+/m0/s1
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6.60n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233250
PNG
(US9346786, 54)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30F4N4O3/c1-2-38(30(40)41-23-7-4-21(31)5-8-23)27-18-37(17-24(27)20-3-9-25(33)26(34)15-20)29(39)19-11-13-36(14-12-19)28-10-6-22(32)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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7n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233234
PNG
(US9346786, 38)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H34F2N4O4/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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7n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233289
PNG
(US9346786, 93)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)CC#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C28H30ClFN4O4/c1-2-34(28(37)38-23-9-7-22(30)8-10-23)25-18-33(17-24(25)19-3-5-21(29)6-4-19)27(36)20-12-15-32(16-13-20)26(35)11-14-31/h3-10,20,24-25H,2,11-13,15-18H2,1H3/t24-,25+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233307
PNG
(US9346786, 111)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(N)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H33ClFN5O4/c1-2-38(31(41)42-25-10-8-24(33)9-11-25)27-19-37(18-26(27)20-3-6-23(32)7-4-20)30(40)21-13-15-36(16-14-21)28-12-5-22(17-35-28)29(34)39/h3-12,17,21,26-27H,2,13-16,18-19H2,1H3,(H2,34,39)/t26-,27+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233290
PNG
(US9346786, 94)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(CC1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H32ClFN4O4/c1-2-36(29(39)40-24-9-7-23(32)8-10-24)26-18-35(17-25(26)20-3-5-22(31)6-4-20)27(37)21-11-15-34(16-12-21)28(38)30(19-33)13-14-30/h3-10,21,25-26H,2,11-18H2,1H3/t25-,26+/m0/s1
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7.80n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233209
PNG
(US9346786, 13)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ncc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClFN6O3/c1-2-38(30(40)41-25-9-7-24(32)8-10-25)27-19-37(18-26(27)21-3-5-23(31)6-4-21)28(39)22-11-13-36(14-12-22)29-34-16-20(15-33)17-35-29/h3-10,16-17,22,26-27H,2,11-14,18-19H2,1H3/t26-,27+/m0/s1
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8n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233233
PNG
(US9346786, 37)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H34F2N4O5S/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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8n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233211
PNG
(US9346786, 15)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H31ClFN5O3/c1-2-38(31(40)41-26-9-7-25(33)8-10-26)28-20-37(19-27(28)22-3-5-24(32)6-4-22)30(39)23-12-15-36(16-13-23)29-17-21(18-34)11-14-35-29/h3-11,14,17,23,27-28H,2,12-13,15-16,19-20H2,1H3/t27-,28+/m0/s1
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8n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233275
PNG
(US9346786, 79)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(nc1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H30ClF2N5O4/c1-2-40(32(43)44-25-8-5-23(34)6-9-25)29-19-39(18-26(29)21-4-10-27(33)28(35)15-21)30(41)20-11-13-38(14-12-20)31(42)22-3-7-24(16-36)37-17-22/h3-10,15,17,20,26,29H,2,11-14,18-19H2,1H3/t26-,29+/m0/s1
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8n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233278
PNG
(US9346786, 82)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C27H31ClFN3O4/c1-3-32(27(35)36-23-10-8-22(29)9-11-23)25-17-31(16-24(25)19-4-6-21(28)7-5-19)26(34)20-12-14-30(15-13-20)18(2)33/h4-11,20,24-25H,3,12-17H2,1-2H3/t24-,25+/m0/s1
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8.20n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233298
PNG
(US9346786, 102)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H31ClF2N4O4/c1-2-38(31(41)42-25-10-7-23(33)8-11-25)28-19-37(18-26(28)20-3-5-22(32)6-4-20)29(39)21-13-15-36(16-14-21)30(40)27-12-9-24(34)17-35-27/h3-12,17,21,26,28H,2,13-16,18-19H2,1H3/t26-,28+/m0/s1
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8.20n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233246
PNG
(US9346786, 50)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30F6N4O3/c1-2-41(30(43)44-23-7-5-22(32)6-8-23)27-18-40(17-24(27)20-3-9-25(33)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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9n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233251
PNG
(US9346786, 55)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1ccc(C)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H33F3N4O3/c1-3-38(31(40)41-24-8-6-23(32)7-9-24)28-19-37(18-25(28)22-5-10-26(33)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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9n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233232
PNG
(US9346786, 36)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H31ClF2N4O3/c1-2-37(30(39)40-25-10-8-24(33)9-11-25)27-19-36(18-26(27)20-3-6-23(32)7-4-20)29(38)21-13-15-35(16-14-21)28-12-5-22(31)17-34-28/h3-12,17,21,26-27H,2,13-16,18-19H2,1H3/t26-,27+/m0/s1
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10n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233200
PNG
(US9346786, 4)
Show SMILES CC1(CC1)C(=O)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)c(Cl)c1)N(C1CC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H34Cl2FN3O4/c1-31(12-13-31)29(39)35-14-10-19(11-15-35)28(38)36-17-24(20-2-9-25(32)26(33)16-20)27(18-36)37(22-5-6-22)30(40)41-23-7-3-21(34)4-8-23/h2-4,7-9,16,19,22,24,27H,5-6,10-15,17-18H2,1H3/t24-,27+/m0/s1
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10n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233225
PNG
(US9346786, 29)
Show SMILES Fc1ccc(OC(=O)N(C2CC2)[C@@H]2CN(C[C@H]2c2ccc(Cl)cc2)C(=O)C2CCN(CC2)c2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C32H31ClFN5O3/c33-24-4-2-22(3-5-24)28-19-38(31(40)23-13-15-37(16-14-23)30-12-1-21(17-35)18-36-30)20-29(28)39(26-8-9-26)32(41)42-27-10-6-25(34)7-11-27/h1-7,10-12,18,23,26,28-29H,8-9,13-16,19-20H2/t28-,29+/m0/s1
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12n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233270
PNG
(US9346786, 74)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H30ClF5N4O4/c1-2-42(31(45)46-23-7-5-22(34)6-8-23)28-18-41(17-24(28)20-3-9-25(33)26(35)15-20)29(43)19-11-13-40(14-12-19)30(44)27-10-4-21(16-39-27)32(36,37)38/h3-10,15-16,19,24,28H,2,11-14,17-18H2,1H3/t24-,28+/m0/s1
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12n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233248
PNG
(US9346786, 52)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H34F3N3O4/c1-3-36(29(39)40-22-7-5-21(31)6-8-22)26-18-35(17-23(26)20-4-9-24(32)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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15n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233249
PNG
(US9346786, 53)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30F3N5O3/c1-2-39(31(41)42-24-6-4-23(32)5-7-24)28-19-38(18-25(28)22-3-8-26(33)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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16n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233317
PNG
(US9346786, 121)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C29H32ClFN4O5/c1-2-35(29(39)40-22-9-7-21(31)8-10-22)25-17-34(16-23(25)18-3-5-20(30)6-4-18)27(37)19-11-13-33(14-12-19)28(38)24-15-26(36)32-24/h3-10,19,23-25H,2,11-17H2,1H3,(H,32,36)/t23-,24-,25+/m0/s1
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16.9n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233272
PNG
(US9346786, 76)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C33H31ClF2N4O4/c1-2-40(33(43)44-26-10-8-25(35)9-11-26)30-20-39(19-27(30)24-7-12-28(34)29(36)17-24)32(42)23-13-15-38(16-14-23)31(41)22-5-3-21(18-37)4-6-22/h3-12,17,23,27,30H,2,13-16,19-20H2,1H3/t27-,30+/m0/s1
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17n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233300
PNG
(US9346786, 104)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCC(=O)N(C1)C(C)C)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C34H42ClFN4O5/c1-4-39(34(44)45-28-12-10-27(36)11-13-28)30-21-38(20-29(30)23-5-8-26(35)9-6-23)32(42)24-15-17-37(18-16-24)33(43)25-7-14-31(41)40(19-25)22(2)3/h5-6,8-13,22,24-25,29-30H,4,7,14-21H2,1-3H3/t25?,29-,30+/m0/s1
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17.6n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233219
PNG
(US9346786, 23)
Show SMILES CC(C)N([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/C32H33ClFN5O3/c1-21(2)39(32(41)42-27-10-8-26(34)9-11-27)29-20-38(19-28(29)23-4-6-25(33)7-5-23)31(40)24-13-15-37(16-14-24)30-12-3-22(17-35)18-36-30/h3-12,18,21,24,28-29H,13-16,19-20H2,1-2H3/t28-,29+/m0/s1
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21n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233208
PNG
(US9346786, 12)
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+/m1/s1
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23n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233281
PNG
(US9346786, 85)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(CC1)C#N)C(=O)Oc1ccccc1F
Show InChI InChI=1S/C30H32ClFN4O4/c1-2-36(29(39)40-26-6-4-3-5-24(26)32)25-18-35(17-23(25)20-7-9-22(31)10-8-20)27(37)21-11-15-34(16-12-21)28(38)30(19-33)13-14-30/h3-10,21,23,25H,2,11-18H2,1H3/t23-,25+/m0/s1
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23.3n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233218
PNG
(US9346786, 22)
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+/m1/s1
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25n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233277
PNG
(US9346786, 81)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C26H30ClF2N3O5S/c1-3-32(26(34)37-20-7-5-19(28)6-8-20)24-16-30(15-21(24)18-4-9-22(27)23(29)14-18)25(33)17-10-12-31(13-11-17)38(2,35)36/h4-9,14,17,21,24H,3,10-13,15-16H2,1-2H3/t21-,24+/m0/s1
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29n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233280
PNG
(US9346786, 84)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(C)COC1)C(=O)Oc1ccccc1F
Show InChI InChI=1S/C30H35ClFN3O5/c1-3-35(29(38)40-26-7-5-4-6-24(26)32)25-17-34(16-23(25)20-8-10-22(31)11-9-20)27(36)21-12-14-33(15-13-21)28(37)30(2)18-39-19-30/h4-11,21,23,25H,3,12-19H2,1-2H3/t23-,25+/m0/s1
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29.8n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233301
PNG
(US9346786, 105)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCC(=O)N(C1)C(C)C)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C28H32ClF2N3O4/c1-4-33(28(37)38-21-9-7-20(30)8-10-21)25-16-32(15-22(25)18-5-11-23(29)24(31)13-18)27(36)19-6-12-26(35)34(14-19)17(2)3/h5,7-11,13,17,19,22,25H,4,6,12,14-16H2,1-3H3/t19?,22-,25+/m0/s1
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31.2n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233299
PNG
(US9346786, 103)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CCC(=O)NC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H36ClFN4O5/c1-2-37(31(41)42-25-10-8-24(33)9-11-25)27-19-36(18-26(27)20-3-6-23(32)7-4-20)29(39)21-13-15-35(16-14-21)30(40)22-5-12-28(38)34-17-22/h3-4,6-11,21-22,26-27H,2,5,12-19H2,1H3,(H,34,38)/t22?,26-,27+/m0/s1
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32.6n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233226
PNG
(US9346786, 30)
Show SMILES CC(=O)c1ccc(nc1)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)N(C1CC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C33H34ClFN4O4/c1-21(40)24-4-13-31(36-18-24)37-16-14-23(15-17-37)32(41)38-19-29(22-2-5-25(34)6-3-22)30(20-38)39(27-9-10-27)33(42)43-28-11-7-26(35)8-12-28/h2-8,11-13,18,23,27,29-30H,9-10,14-17,19-20H2,1H3/t29-,30+/m0/s1
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35n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233207
PNG
(US9346786, 11)
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+/m1/s1
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36n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233297
PNG
(US9346786, 101)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H31ClF4N4O4/c1-2-41(31(44)45-25-10-8-24(34)9-11-25)28-19-40(18-26(28)20-3-6-23(33)7-4-20)29(42)21-13-15-39(16-14-21)30(43)27-12-5-22(17-38-27)32(35,36)37/h3-12,17,21,26,28H,2,13-16,18-19H2,1H3/t26-,28+/m0/s1
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42.5n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233198
PNG
(US9346786, 2)
Show SMILES CC(C)N([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/C31H36Cl2FN3O4/c1-19(2)37(30(40)41-23-7-5-22(34)6-8-23)27-18-36(17-24(27)21-4-9-25(32)26(33)16-21)28(38)20-10-14-35(15-11-20)29(39)31(3)12-13-31/h4-9,16,19-20,24,27H,10-15,17-18H2,1-3H3/t24-,27+/m0/s1
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46n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233222
PNG
(US9346786, 26)
Show SMILES CC(C)N([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/C31H32ClFN6O3/c1-20(2)39(31(41)42-26-10-7-24(33)8-11-26)28-19-38(18-27(28)21-3-5-23(32)6-4-21)30(40)22-13-15-37(16-14-22)29-12-9-25(17-34)35-36-29/h3-12,20,22,27-28H,13-16,18-19H2,1-2H3/t27-,28+/m0/s1
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46n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233223
PNG
(US9346786, 27)
Show SMILES CC(C)N([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/C31H32ClFN6O3/c1-20(2)39(31(41)42-26-9-7-24(33)8-10-26)28-19-38(18-27(28)21-3-5-23(32)6-4-21)30(40)22-11-13-37(14-12-22)29-17-35-25(15-34)16-36-29/h3-10,16-17,20,22,27-28H,11-14,18-19H2,1-2H3/t27-,28+/m0/s1
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47n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233229
PNG
(US9346786, 33)
Show SMILES Fc1ccc(OC(=O)N(C2CC2)[C@@H]2CN(C[C@H]2c2ccc(Cl)cc2)C(=O)C2CCN(CC2)c2cnc(cn2)C#N)cc1
Show InChI InChI=1S/C31H30ClFN6O3/c32-22-3-1-20(2-4-22)27-18-38(30(40)21-11-13-37(14-12-21)29-17-35-24(15-34)16-36-29)19-28(27)39(25-7-8-25)31(41)42-26-9-5-23(33)6-10-26/h1-6,9-10,16-17,21,25,27-28H,7-8,11-14,18-19H2/t27-,28+/m0/s1
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48n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233224
PNG
(US9346786, 28)
Show SMILES CC(C)N([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/C32H33ClFN5O3/c1-21(2)39(32(41)42-27-10-8-26(34)9-11-27)29-20-38(19-28(29)23-4-6-25(33)7-5-23)31(40)24-13-15-37(16-14-24)30-12-3-22(17-35)18-36-30/h3-12,18,21,24,28-29H,13-16,19-20H2,1-2H3/t28-,29+/m1/s1
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50n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233228
PNG
(US9346786, 32)
Show SMILES Fc1ccc(OC(=O)N(C2CC2)[C@@H]2CN(C[C@H]2c2ccc(Cl)cc2)C(=O)C2CCN(CC2)c2ccc(nn2)C#N)cc1
Show InChI InChI=1S/C31H30ClFN6O3/c32-22-3-1-20(2-4-22)27-18-38(30(40)21-13-15-37(16-14-21)29-12-7-24(17-34)35-36-29)19-28(27)39(25-8-9-25)31(41)42-26-10-5-23(33)6-11-26/h1-7,10-12,21,25,27-28H,8-9,13-16,18-19H2/t27-,28+/m0/s1
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52n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233204
PNG
(US9346786, 8)
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+/m1/s1
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55n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233227
PNG
(US9346786, 31)
Show SMILES Fc1ccc(OC(=O)N(C2CC2)[C@@H]2CN(C[C@H]2c2ccc(Cl)cc2)C(=O)C2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C32H31ClF4N4O3/c33-23-4-1-20(2-5-23)27-18-40(19-28(27)41(25-8-9-25)31(43)44-26-10-6-24(34)7-11-26)30(42)21-13-15-39(16-14-21)29-12-3-22(17-38-29)32(35,36)37/h1-7,10-12,17,21,25,27-28H,8-9,13-16,18-19H2/t27-,28+/m0/s1
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57n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233220
PNG
(US9346786, 24)
Show SMILES CC(C)N([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/C33H36ClFN4O4/c1-21(2)39(33(42)43-28-11-9-27(35)10-12-28)30-20-38(19-29(30)23-4-7-26(34)8-5-23)32(41)24-14-16-37(17-15-24)31-13-6-25(18-36-31)22(3)40/h4-13,18,21,24,29-30H,14-17,19-20H2,1-3H3/t29-,30+/m0/s1
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62n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233202
PNG
(US9346786, 6)
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+/m1/s1
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62n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233206
PNG
(US9346786, 10)
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+/m1/s1
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65n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233302
PNG
(US9346786, 106)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C29H31F3N4O5/c1-2-36(29(40)41-20-6-4-19(30)5-7-20)25-16-35(15-21(25)18-3-8-22(31)23(32)13-18)27(38)17-9-11-34(12-10-17)28(39)24-14-26(37)33-24/h3-8,13,17,21,24-25H,2,9-12,14-16H2,1H3,(H,33,37)/t21-,24-,25+/m0/s1
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66n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233318
PNG
(US9346786, 122)
Show SMILES CCN(CC)CC(=O)c1ccc(nc1)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)N(CC)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C36H43F2N5O4/c1-4-40(5-2)24-33(44)27-9-16-34(39-21-27)41-19-17-26(18-20-41)35(45)42-22-31(25-7-10-28(37)11-8-25)32(23-42)43(6-3)36(46)47-30-14-12-29(38)13-15-30/h7-16,21,26,31-32H,4-6,17-20,22-24H2,1-3H3/t31-,32+/m0/s1
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69.6n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233282
PNG
(US9346786, 86)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccccc1F
Show InChI InChI=1S/C32H31ClF4N4O4/c1-2-41(31(44)45-28-6-4-3-5-25(28)34)27-19-40(18-24(27)20-7-10-23(33)11-8-20)29(42)21-13-15-39(16-14-21)30(43)26-12-9-22(17-38-26)32(35,36)37/h3-12,17,21,24,27H,2,13-16,18-19H2,1H3/t24-,27+/m0/s1
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70.7n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233215
PNG
(US9346786, 19)
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+/m1/s1
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88n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233203
PNG
(US9346786, 7)
Show SMILES CCN([C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ncc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClFN6O3/c1-2-38(30(40)41-25-9-7-24(32)8-10-25)27-19-37(18-26(27)21-3-5-23(31)6-4-21)28(39)22-11-13-36(14-12-22)29-34-16-20(15-33)17-35-29/h3-10,16-17,22,26-27H,2,11-14,18-19H2,1H3/t26-,27+/m1/s1
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89n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233221
PNG
(US9346786, 25)
Show SMILES CC(C)N([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/C32H33ClF4N4O3/c1-20(2)41(31(43)44-26-10-8-25(34)9-11-26)28-19-40(18-27(28)21-3-6-24(33)7-4-21)30(42)22-13-15-39(16-14-22)29-12-5-23(17-38-29)32(35,36)37/h3-12,17,20,22,27-28H,13-16,18-19H2,1-2H3/t27-,28+/m0/s1
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112n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233230
PNG
(US9346786, 34)
Show SMILES Fc1ccc(OC(=O)N(C2CC2)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(=O)C2CCN(CC2)c2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C32H31ClFN5O3/c33-24-4-2-22(3-5-24)28-19-38(31(40)23-13-15-37(16-14-23)30-12-1-21(17-35)18-36-30)20-29(28)39(26-8-9-26)32(41)42-27-10-6-25(34)7-11-27/h1-7,10-12,18,23,26,28-29H,8-9,13-16,19-20H2/t28-,29+/m1/s1
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116n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233303
PNG
(US9346786, 107)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CCC(=O)NC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H35F3N4O5/c1-2-38(31(42)43-23-7-5-22(32)6-8-23)27-18-37(17-24(27)20-3-9-25(33)26(34)15-20)29(40)19-11-13-36(14-12-19)30(41)21-4-10-28(39)35-16-21/h3,5-9,15,19,21,24,27H,2,4,10-14,16-18H2,1H3,(H,35,39)/t21?,24-,27+/m0/s1
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131n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233205
PNG
(US9346786, 9)
Show SMILES CCN([C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H31ClFN5O3/c1-2-38(31(40)41-26-9-7-25(33)8-10-26)28-20-37(19-27(28)22-3-5-24(32)6-4-22)30(39)23-12-15-36(16-13-23)29-17-21(18-34)11-14-35-29/h3-11,14,17,23,27-28H,2,12-13,15-16,19-20H2,1H3/t27-,28+/m1/s1
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138n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233252
PNG
(US9346786, 56)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCNCC1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C25H28ClF2N3O3/c1-2-31(25(33)34-19-6-4-18(27)5-7-19)23-15-30(24(32)16-9-11-29-12-10-16)14-20(23)17-3-8-21(26)22(28)13-17/h3-8,13,16,20,23,29H,2,9-12,14-15H2,1H3/t20-,23+/m0/s1
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267n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM233199
PNG
(US9346786, 3)
Show SMILES CC(C)CN([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/C32H38Cl2FN3O4/c1-20(2)17-38(31(41)42-24-7-5-23(35)6-8-24)28-19-37(18-25(28)22-4-9-26(33)27(34)16-22)29(39)21-10-14-36(15-11-21)30(40)32(3)12-13-32/h4-9,16,20-21,25,28H,10-15,17-19H2,1-3H3/t25-,28+/m0/s1
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276n/an/an/an/an/an/an/an/a



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 ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%