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Compile Data Set for Download or QSAR

Found 1627 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TACR3


(GUINEA PIG)
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 0.0800n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cells


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 0.220n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Apparent binding affinity to human NK3 receptor expressed in HEK293 cells


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099628
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C35H46N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h3,7-10,15-18,26-27,29H,2,4-6,11-14,19-25H2,1H3,(H,36,40)/t26-/m0/s1
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n/an/an/a 2n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Cellular functional antagonistic activity against NKB-induced [Ca2+] mobilization in HEK cells stably expressing the hNK-3 receptor


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 3.16n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced acc...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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n/an/an/a 5.75n/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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n/an/an/a 5.75n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inosi...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50299469
PNG
(4-[4-(acetylmethyl-amino)-piperidin-1-yl]-2-(3,4-d...)
Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3
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n/an/an/a 7.76n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inosi...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50299468
PNG
(2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...)
Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3
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n/an/an/a 8.91n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inosi...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50299468
PNG
(2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...)
Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3
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n/an/an/a 11.0n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced acc...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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n/an/an/a 12.3n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced acc...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50299469
PNG
(4-[4-(acetylmethyl-amino)-piperidin-1-yl]-2-(3,4-d...)
Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3
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n/an/an/a 14.8n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced acc...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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n/an/an/a 15.5n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50401082
PNG
(CHEMBL2203704)
Show SMILES C[C@H]1CN(CCN1S(C)(=O)=O)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C
Show InChI InChI=1S/C31H33F7N4O3S/c1-18-11-23(32)7-8-24(18)25-15-27(41-9-10-42(19(2)17-41)46(6,44)45)39-16-26(25)40(5)28(43)29(3,4)20-12-21(30(33,34)35)14-22(13-20)31(36,37)38/h7-8,11-16,19H,9-10,17H2,1-6H3/t19-/m0/s1
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n/an/an/a 16.2n/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50299470
PNG
(4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...)
Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3
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n/an/an/a 18.2n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inosi...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 18.6n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]inosi...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/an/a 18.6n/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50299470
PNG
(4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...)
Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3
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n/an/an/a 24.0n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type guinea pig NK3 receptor expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced accumulation of [3H]...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50299470
PNG
(4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...)
Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3
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n/an/an/a 29.5n/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at wild type guinea pig NK3 receptor A1142.58T mutant expressed in HEK293 cells assessed as inhibition of [MePhe7]NKB-induced acc...


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50401077
PNG
(CHEMBL2203709)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC2(CC1)OCCS2(=O)=O
Show InChI InChI=1S/C32H32F7N3O4S/c1-19-13-23(33)5-6-24(19)25-17-27(42-9-7-30(8-10-42)46-11-12-47(30,44)45)40-18-26(25)41(4)28(43)29(2,3)20-14-21(31(34,35)36)16-22(15-20)32(37,38)39/h5-6,13-18H,7-12H2,1-4H3
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n/an/an/a 97.7n/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50401080
PNG
(CHEMBL2203706)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC[C@H](O)C1
Show InChI InChI=1S/C29H28F7N3O2/c1-16-9-20(30)5-6-22(16)23-13-25(39-8-7-21(40)15-39)37-14-24(23)38(4)26(41)27(2,3)17-10-18(28(31,32)33)12-19(11-17)29(34,35)36/h5-6,9-14,21,40H,7-8,15H2,1-4H3/t21-/m0/s1
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n/an/an/a 120n/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50401078
PNG
(CHEMBL2203708)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H31F7N4O3S/c1-18-12-22(31)6-7-23(18)24-16-26(40-8-10-41(11-9-40)45(5,43)44)38-17-25(24)39(4)27(42)28(2,3)19-13-20(29(32,33)34)15-21(14-19)30(35,36)37/h6-7,12-17H,8-11H2,1-5H3
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n/an/an/a 123n/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins


J Med Chem 55: 5061-76 (2012)


Article DOI: 10.1021/jm2017072
BindingDB Entry DOI: 10.7270/Q2959JP4
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(mouse)
BDBM85083
PNG
(NKB [MePhe7])
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-55(82)47(32(3)4)68-53(80)40(23-33-14-10-8-11-15-33)66-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(27-46(73)74)67-52(79)41(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,81)(H,67,79)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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0.0530n/an/an/an/an/an/an/an/a



Sanofi-Synthélabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 1171-9 (2002)


Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
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0.110n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




Life Sci 56: -32 (1995)


BindingDB Entry DOI: 10.7270/Q2PV6HV4
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to NK3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 510-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.033
BindingDB Entry DOI: 10.7270/Q2KS6T1G
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
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0.210n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




Life Sci 56: -32 (1995)


BindingDB Entry DOI: 10.7270/Q2PV6HV4
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
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0.210n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 148-54 (1995)


BindingDB Entry DOI: 10.7270/Q2FJ2F9B
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50299467
PNG
((5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidaz...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human NK3 receptor


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116736
PNG
(CHEMBL74956 | N-{(R)-5-{4-[3-(1-Carbamoyl-1-methyl...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)C(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-33(2,31(38)45)43-12-5-11-42(32(43)46)25-8-13-41(14-9-25)15-10-26(21-6-7-27(36)28(37)18-21)29(39-47-4)20-40(3)30(44)22-16-23(34)19-24(35)17-22/h6-7,16-19,25-26H,5,8-15,20H2,1-4H3,(H2,38,45)/b39-29+/t26-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116717
PNG
(3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116722
PNG
(CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233239
PNG
(US9346786, 43)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(nc1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF2N5O3/c1-2-39(31(41)42-25-8-4-22(33)5-9-25)29-19-38(18-26(29)21-3-10-27(32)28(34)15-21)30(40)20-11-13-37(14-12-20)24-7-6-23(16-35)36-17-24/h3-10,15,17,20,26,29H,2,11-14,18-19H2,1H3/t26-,29+/m0/s1
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US Patent
0.300 -50.5n/an/an/an/an/a7.44



Hoffmann-La Roche Inc.

US Patent


Assay Description
hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...


US Patent US9346786 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BPC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM85083
PNG
(NKB [MePhe7])
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-55(82)47(32(3)4)68-53(80)40(23-33-14-10-8-11-15-33)66-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(27-46(73)74)67-52(79)41(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,81)(H,67,79)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM85083
PNG
(NKB [MePhe7])
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-55(82)47(32(3)4)68-53(80)40(23-33-14-10-8-11-15-33)66-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(27-46(73)74)67-52(79)41(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,81)(H,67,79)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Sanofi-Synthélabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 1171-9 (2002)


Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445820
PNG
(CHEMBL3104783)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H31Cl3FN3O3/c1-36(19-20-3-6-22(32)7-4-20)29(39)24(21-5-9-26(33)27(34)17-21)11-14-38-15-12-31(13-16-38)25-18-23(35)8-10-28(25)37(2)30(40)41-31/h3-10,17-18,24H,11-16,19H2,1-2H3/t24-/m0/s1
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0.398n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells


ACS Med Chem Lett 5: 550-5 (2014)


Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116732
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116745
PNG
(CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM85083
PNG
(NKB [MePhe7])
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-55(82)47(32(3)4)68-53(80)40(23-33-14-10-8-11-15-33)66-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(27-46(73)74)67-52(79)41(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,81)(H,67,79)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Sanofi-Synthélabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 1171-9 (2002)


Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells


J Med Chem 52: 7103-12 (2009)


Article DOI: 10.1021/jm900948q
BindingDB Entry DOI: 10.7270/Q21G0MBP
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116740
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233255
PNG
(US9346786, 59)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H33ClF2N4O4/c1-3-39(32(42)43-25-8-6-24(34)7-9-25)29-19-38(18-26(29)22-4-10-27(33)28(35)16-22)31(41)21-12-14-37(15-13-21)30-11-5-23(17-36-30)20(2)40/h4-11,16-17,21,26,29H,3,12-15,18-19H2,1-2H3/t26-,29+/m0/s1
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0.5 -49.3n/an/an/an/an/a7.44



Hoffmann-La Roche Inc.

US Patent


Assay Description
hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...


US Patent US9346786 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BPC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233312
PNG
(US9346786, 116)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C32H33Cl2FN4O4/c1-3-39(32(42)43-25-8-6-24(35)7-9-25)29-19-38(18-26(29)22-4-10-27(33)28(34)16-22)31(41)21-12-14-37(15-13-21)30-11-5-23(17-36-30)20(2)40/h4-11,16-17,21,26,29H,3,12-15,18-19H2,1-2H3/t26-,29+/m0/s1
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0.5 -49.3n/an/an/an/an/a7.44



Hoffmann-La Roche Inc.

US Patent


Assay Description
hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...


US Patent US9346786 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BPC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233309
PNG
(US9346786, 113)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30Cl3FN4O3/c1-2-38(30(40)41-23-7-5-22(34)6-8-23)27-18-37(17-24(27)20-3-9-25(32)26(33)15-20)29(39)19-11-13-36(14-12-19)28-10-4-21(31)16-35-28/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
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0.5 -49.3n/an/an/an/an/a7.44



Hoffmann-La Roche Inc.

US Patent


Assay Description
hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...


US Patent US9346786 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BPC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116726
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl4N6O3/c1-41(33(45)24-18-25(35)21-26(36)19-24)22-31(40-47-2)28(23-7-8-29(37)30(38)20-23)11-17-42-15-9-27(10-16-42)43-13-5-14-44(34(43)46)32-6-3-4-12-39-32/h3-4,6-8,12,18-21,27-28H,5,9-11,13-17,22H2,1-2H3/b40-31+/t28-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116727
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116715
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50445819
PNG
(CHEMBL3104785)
Show SMILES CCCN(C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1)C(C)=O
Show InChI InChI=1S/C29H38Cl2FN3O3/c1-4-14-35(20(2)37)24-11-15-34(16-12-24)17-13-29(3,22-7-10-25(30)26(31)18-22)28(38)33-27(19-36)21-5-8-23(32)9-6-21/h5-10,18,24,27,36H,4,11-17,19H2,1-3H3,(H,33,38)/t27-,29?/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells


ACS Med Chem Lett 5: 550-5 (2014)


Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB
More data for this
Ligand-Target Pair
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