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Patent code US8618303

Compile Data Set for Download or QSAR
Found 36 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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109719
PNG
(US8618303, 9)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N |r|
Show InChI InChI=1S/C31H31ClFN5O3/c1-31(36(2)30(40)41-26-10-8-25(33)9-11-26)20-38(19-27(31)22-4-6-24(32)7-5-22)29(39)23-13-15-37(16-14-23)28-12-3-21(17-34)18-35-28/h3-12,18,23,27H,13-16,19-20H2,1-2H3/t27-,31+/m1/s1
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US Patent
 2.10n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109728
PNG
(US8618303, 18)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(nc1)C#N |r|
Show InChI InChI=1S/C31H31ClFN5O3/c1-31(36(2)30(40)41-27-11-7-24(33)8-12-27)20-38(19-28(31)21-3-5-23(32)6-4-21)29(39)22-13-15-37(16-14-22)26-10-9-25(17-34)35-18-26/h3-12,18,22,28H,13-16,19-20H2,1-2H3/t28-,31+/m1/s1
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 2.80n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109740
PNG
(US8618303, 30 | US8618303, 34)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H31ClFN5O3/c1-31(23-4-6-24(32)7-5-23)20-38(19-27(31)36(2)30(40)41-26-10-8-25(33)9-11-26)29(39)22-13-15-37(16-14-22)28-12-3-21(17-34)18-35-28/h3-12,18,22,27H,13-16,19-20H2,1-2H3/t27-,31+/m1/s1
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 2.90n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109720
PNG
(US8618303, 10)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C32H32ClFN4O3/c1-32(36(2)31(40)41-28-13-9-26(34)10-14-28)21-38(20-29(32)23-5-7-25(33)8-6-23)30(39)24-15-17-37(18-16-24)27-11-3-22(19-35)4-12-27/h3-14,24,29H,15-18,20-21H2,1-2H3/t29-,32+/m1/s1
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 3.80n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109721
PNG
(US8618303, 11)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O |r|
Show InChI InChI=1S/C32H34ClFN4O4/c1-21(39)24-6-13-29(35-18-24)37-16-14-23(15-17-37)30(40)38-19-28(22-4-7-25(33)8-5-22)32(2,20-38)36(3)31(41)42-27-11-9-26(34)10-12-27/h4-13,18,23,28H,14-17,19-20H2,1-3H3/t28-,32+/m1/s1
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 4.5n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109717
PNG
(US8618303, 7)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1 |r|
Show InChI InChI=1S/C30H35ClFN3O4/c1-29(14-15-29)27(37)34-16-12-21(13-17-34)26(36)35-18-25(20-4-6-22(31)7-5-20)30(2,19-35)33(3)28(38)39-24-10-8-23(32)9-11-24/h4-11,21,25H,12-19H2,1-3H3/t25-,30+/m1/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109740
PNG
(US8618303, 30 | US8618303, 34)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H31ClFN5O3/c1-31(23-4-6-24(32)7-5-23)20-38(19-27(31)36(2)30(40)41-26-10-8-25(33)9-11-26)29(39)22-13-15-37(16-14-22)28-12-3-21(17-34)18-35-28/h3-12,18,22,27H,13-16,19-20H2,1-2H3/t27-,31+/m1/s1
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 5.30n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109722
PNG
(US8618303, 12)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C30H31ClF2N4O3/c1-30(35(2)29(39)40-25-10-7-23(32)8-11-25)19-37(18-26(30)20-3-5-22(31)6-4-20)28(38)21-13-15-36(16-14-21)27-12-9-24(33)17-34-27/h3-12,17,21,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
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 7.60n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109741
PNG
(US8618303, 31)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C32H34ClFN4O4/c1-21(39)23-4-13-29(35-18-23)37-16-14-22(15-17-37)30(40)38-19-28(32(2,20-38)24-5-7-25(33)8-6-24)36(3)31(41)42-27-11-9-26(34)10-12-27/h4-13,18,22,28H,14-17,19-20H2,1-3H3/t28-,32+/m1/s1
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 8.10n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109742
PNG
(US8618303, 32)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H31Cl2FN4O3/c1-30(21-3-5-22(31)6-4-21)19-37(18-26(30)35(2)29(39)40-25-10-8-24(33)9-11-25)28(38)20-13-15-36(16-14-20)27-12-7-23(32)17-34-27/h3-12,17,20,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
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 9.90n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109723
PNG
(US8618303, 13)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C30H31Cl2FN4O3/c1-30(35(2)29(39)40-25-10-8-24(33)9-11-25)19-37(18-26(30)20-3-5-22(31)6-4-20)28(38)21-13-15-36(16-14-21)27-12-7-23(32)17-34-27/h3-12,17,21,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109711
PNG
(US8618303, 1)
Show SMILES CC(C)C(=O)N1CCC(CC1)C(=O)N1C[C@H](c2ccc(Cl)cc2)[C@](C)(C1)N(C)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H35ClFN3O4/c1-19(2)26(35)33-15-13-21(14-16-33)27(36)34-17-25(20-5-7-22(30)8-6-20)29(3,18-34)32(4)28(37)38-24-11-9-23(31)10-12-24/h5-12,19,21,25H,13-18H2,1-4H3/t25-,29+/m1/s1
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 10.5n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109732
PNG
(US8618303, 22)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cc1)C#N)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C32H32ClFN4O3/c1-32(24-5-7-25(33)8-6-24)21-38(20-29(32)36(2)31(40)41-28-13-9-26(34)10-14-28)30(39)23-15-17-37(18-16-23)27-11-3-22(19-35)4-12-27/h3-14,23,29H,15-18,20-21H2,1-2H3/t29-,32+/m1/s1
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 10.5n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109725
PNG
(US8618303, 15)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C31H31ClF4N4O3/c1-30(38(2)29(42)43-25-10-8-24(33)9-11-25)19-40(18-26(30)20-3-6-23(32)7-4-20)28(41)21-13-15-39(16-14-21)27-12-5-22(17-37-27)31(34,35)36/h3-12,17,21,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
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 11.5n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109714
PNG
(US8618303, 4)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C27H31ClFN3O4/c1-18(33)31-14-12-20(13-15-31)25(34)32-16-24(19-4-6-21(28)7-5-19)27(2,17-32)30(3)26(35)36-23-10-8-22(29)9-11-23/h4-11,20,24H,12-17H2,1-3H3/t24-,27+/m1/s1
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 11.6n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109729
PNG
(US8618303, 19)
Show SMILES COc1ccc(nn1)N1CCC(CC1)C(=O)N1C[C@H](c2ccc(Cl)cc2)[C@](C)(C1)N(C)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H33ClFN5O4/c1-30(35(2)29(39)41-24-10-8-23(32)9-11-24)19-37(18-25(30)20-4-6-22(31)7-5-20)28(38)21-14-16-36(17-15-21)26-12-13-27(40-3)34-33-26/h4-13,21,25H,14-19H2,1-3H3/t25-,30+/m1/s1
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 12.9n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109718
PNG
(US8618303, 8)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(C)cn1 |r|
Show InChI InChI=1S/C31H34ClFN4O3/c1-21-4-13-28(34-18-21)36-16-14-23(15-17-36)29(38)37-19-27(22-5-7-24(32)8-6-22)31(2,20-37)35(3)30(39)40-26-11-9-25(33)10-12-26/h4-13,18,23,27H,14-17,19-20H2,1-3H3/t27-,31+/m1/s1
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 13n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109743
PNG
(US8618303, 33)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H31ClF4N4O3/c1-30(21-3-6-23(32)7-4-21)19-40(18-26(30)38(2)29(42)43-25-10-8-24(33)9-11-25)28(41)20-13-15-39(16-14-20)27-12-5-22(17-37-27)31(34,35)36/h3-12,17,20,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
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 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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109712
PNG
(US8618303, 2)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C1CCCCC1 |r|
Show InChI InChI=1S/C31H39ClFN3O3/c1-31(34(2)30(38)39-27-14-12-25(33)13-15-27)21-36(20-28(31)22-8-10-24(32)11-9-22)29(37)23-16-18-35(19-17-23)26-6-4-3-5-7-26/h8-15,23,26,28H,3-7,16-21H2,1-2H3/t28-,31+/m1/s1
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 20.1n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109745
PNG
(US8618303, 35)
Show SMILES COc1ccc(nn1)N1CCC(CC1)C(=O)N1C[C@@H](N(C)C(=O)Oc2ccc(F)cc2)[C@@](C)(C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H33ClFN5O4/c1-30(21-4-6-22(31)7-5-21)19-37(18-25(30)35(2)29(39)41-24-10-8-23(32)9-11-24)28(38)20-14-16-36(17-15-20)26-12-13-27(40-3)34-33-26/h4-13,20,25H,14-19H2,1-3H3/t25-,30+/m1/s1
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 21.3n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109739
PNG
(US8618303, 29)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(C)cn1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H34ClFN4O3/c1-21-4-13-28(34-18-21)36-16-14-22(15-17-36)29(38)37-19-27(31(2,20-37)23-5-7-24(32)8-6-23)35(3)30(39)40-26-11-9-25(33)10-12-26/h4-13,18,22,27H,14-17,19-20H2,1-3H3/t27-,31+/m1/s1
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 24.5n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109731
PNG
(US8618303, 21)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H35ClFN3O4/c1-29(14-15-29)27(37)34-16-12-20(13-17-34)26(36)35-18-25(30(2,19-35)21-4-6-22(31)7-5-21)33(3)28(38)39-24-10-8-23(32)9-11-24/h4-11,20,25H,12-19H2,1-3H3/t25-,30+/m1/s1
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 31.9n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109727
PNG
(US8618303, 17)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1noc(C)n1 |r|
Show InChI InChI=1S/C29H26ClFN4O4/c1-18-32-26(33-39-18)20-4-6-21(7-5-20)27(36)35-16-25(19-8-10-22(30)11-9-19)29(2,17-35)34(3)28(37)38-24-14-12-23(31)13-15-24/h4-15,25H,16-17H2,1-3H3/t25-,29+/m1/s1
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 35.4n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109734
PNG
(US8618303, 24)
Show SMILES CC(C)C(=O)N1CCC(CC1)C(=O)N1C[C@@H](N(C)C(=O)Oc2ccc(F)cc2)[C@@](C)(C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35ClFN3O4/c1-19(2)26(35)33-15-13-20(14-16-33)27(36)34-17-25(29(3,18-34)21-5-7-22(30)8-6-21)32(4)28(37)38-24-11-9-23(31)10-12-24/h5-12,19-20,25H,13-18H2,1-4H3/t25-,29+/m1/s1
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 39.2n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109733
PNG
(US8618303, 23)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H31ClF2N4O3/c1-30(21-3-5-22(31)6-4-21)19-37(18-26(30)35(2)29(39)40-25-10-7-23(32)8-11-25)28(38)20-13-15-36(16-14-20)27-12-9-24(33)17-34-27/h3-12,17,20,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
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 43.5n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109737
PNG
(US8618303, 27)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H31ClFN3O4/c1-18(33)31-14-12-19(13-15-31)25(34)32-16-24(27(2,17-32)20-4-6-21(28)7-5-20)30(3)26(35)36-23-10-8-22(29)9-11-23/h4-11,19,24H,12-17H2,1-3H3/t24-,27+/m1/s1
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 51n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109716
PNG
(US8618303, 6)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1cnnc(C)c1 |r|
Show InChI InChI=1S/C25H24ClFN4O3/c1-16-12-18(13-28-29-16)23(32)31-14-22(17-4-6-19(26)7-5-17)25(2,15-31)30(3)24(33)34-21-10-8-20(27)9-11-21/h4-13,22H,14-15H2,1-3H3/t22-,25+/m1/s1
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 64.9n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109713
PNG
(US8618303, 3)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H23ClFN3O3/c1-27(31(2)26(34)35-23-13-11-22(29)12-14-23)17-32(16-24(27)19-7-9-21(28)10-8-19)25(33)20-5-3-18(15-30)4-6-20/h3-14,24H,16-17H2,1-2H3/t24-,27+/m1/s1
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 67.8n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109724
PNG
(US8618303, 14)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(nc1)C#N |r|
Show InChI InChI=1S/C26H22ClFN4O3/c1-26(31(2)25(34)35-22-11-8-20(28)9-12-22)16-32(15-23(26)17-3-6-19(27)7-4-17)24(33)18-5-10-21(13-29)30-14-18/h3-12,14,23H,15-16H2,1-2H3/t23-,26+/m1/s1
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 77.4n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109715
PNG
(US8618303, 5)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCOCC1 |r|
Show InChI InChI=1S/C25H28ClFN2O4/c1-25(28(2)24(31)33-21-9-7-20(27)8-10-21)16-29(23(30)18-11-13-32-14-12-18)15-22(25)17-3-5-19(26)6-4-17/h3-10,18,22H,11-16H2,1-2H3/t22-,25+/m1/s1
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 86.4n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109735
PNG
(US8618303, 25)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C1CCCCC1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H39ClFN3O3/c1-31(23-8-10-24(32)11-9-23)21-36(20-28(31)34(2)30(38)39-27-14-12-25(33)13-15-27)29(37)22-16-18-35(19-17-22)26-6-4-3-5-7-26/h8-15,22,26,28H,3-7,16-21H2,1-2H3/t28-,31+/m1/s1
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 91.5n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109730
PNG
(US8618303, 20)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(cc1)N1CCCCC1=O |r|
Show InChI InChI=1S/C31H31ClFN3O4/c1-31(34(2)30(39)40-26-16-12-24(33)13-17-26)20-35(19-27(31)21-6-10-23(32)11-7-21)29(38)22-8-14-25(15-9-22)36-18-4-3-5-28(36)37/h6-17,27H,3-5,18-20H2,1-2H3/t27-,31+/m1/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109726
PNG
(US8618303, 16)
Show SMILES CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C32H27ClF2N2O3/c1-32(36(2)31(39)40-28-17-15-27(35)16-18-28)20-37(19-29(32)23-7-11-25(33)12-8-23)30(38)24-5-3-21(4-6-24)22-9-13-26(34)14-10-22/h3-18,29H,19-20H2,1-2H3/t29-,32+/m1/s1
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 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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109738
PNG
(US8618303, 28)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCOCC1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H28ClFN2O4/c1-25(18-3-5-19(26)6-4-18)16-29(23(30)17-11-13-32-14-12-17)15-22(25)28(2)24(31)33-21-9-7-20(27)8-10-21/h3-10,17,22H,11-16H2,1-2H3/t22-,25+/m1/s1
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 348n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109736
PNG
(US8618303, 26)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)C#N)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H23ClFN3O3/c1-27(20-7-9-21(28)10-8-20)17-32(25(33)19-5-3-18(15-30)4-6-19)16-24(27)31(2)26(34)35-23-13-11-22(29)12-14-23/h3-14,24H,16-17H2,1-2H3/t24-,27+/m1/s1
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 629n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM109746
PNG
(US8618303, 36)
Show SMILES CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)N1CCCCC1=O)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H31ClFN3O4/c1-31(22-8-10-23(32)11-9-22)20-35(19-27(31)34(2)30(39)40-26-16-12-24(33)13-17-26)29(38)21-6-14-25(15-7-21)36-18-4-3-5-28(36)37/h6-17,27H,3-5,18-20H2,1-2H3/t27-,31+/m1/s1
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US Patent
 997n/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 ...

US Patent US8618303 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15KK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%