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Compile Data Set for Download or QSAR

Found 1856 hits Enz. Inhib. hit(s) with Target = 'Neurokinin 3 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=1/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-/s2
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n/an/an/a 0.0800n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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-/s2
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n/an/an/a 0.150n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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-/s2
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n/an/an/a 0.200n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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-/s2
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n/an/an/a 0.200n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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-/s2
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n/an/an/a 0.220n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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 Ltd

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=1/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-/s2
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n/an/an/a 3.16n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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-/s2
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n/an/an/a 5.75n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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))
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=1/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-/s2
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n/an/an/a 5.75n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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))
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=1/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 Inc

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=1/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 Inc

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=1/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 Inc

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=1/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-/s2
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n/an/an/a 12.3n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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 Inc

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=1/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-/s2
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n/an/an/a 15.5n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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-/s2
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n/an/an/a 16.2n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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 Inc

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=1/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-/s2
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n/an/an/a 18.6n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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-/s2
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n/an/an/a 18.6n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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=1/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 Inc

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=1/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 Inc

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 Inc

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=1/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-/s2
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n/an/an/a 120n/an/an/an/an/a



F. Hoffmann-La Roche Inc

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 Inc

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


(Rattus norvegicus)
BDBM50049307
PNG
(CHEMBL351236 | N-[(S)-1-{[Acetyl-(2-methoxy-benzyl...)
Show SMILES COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N1CCCCC1)C(C)=O
Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50408385
PNG
(CHEMBL156186)
Show SMILES CC(O)C(NC(C)=O)C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C36H41N5O6/c1-23(42)33(37-24(2)43)35(46)38-30(21-29-20-28-17-11-12-18-32(28)41(29)25(3)44)34(45)39-31(19-26-13-7-5-8-14-26)36(47)40(4)22-27-15-9-6-10-16-27/h5-18,20,23,30-31,33,42H,19,21-22H2,1-4H3,(H,37,43)(H,38,46)(H,39,45)/t23?,30-,31?,33?/m1/s1
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n/an/an/a 1.58E+3n/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)


J Med Chem 40: 594-601 (1997)


Article DOI: 10.1021/jm960213s
BindingDB Entry DOI: 10.7270/Q27945VP
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50406739
PNG
(CHEMBL266884)
Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC1=O)C2=O
Show InChI InChI=1S/C41H52N8O7S/c1-24(2)20-34-39(54)45-30(17-19-57-4)37(52)44-29(14-15-35(42)50)36(51)47-32(22-26-23-43-28-13-9-8-12-27(26)28)40(55)48(3)33(21-25-10-6-5-7-11-25)38(53)46-31-16-18-49(34)41(31)56/h5-13,16,18,23-24,29-34,43H,14-15,17,19-22H2,1-4H3,(H2,42,50)(H,44,52)(H,45,54)(H,46,53)(H,47,51)/t29?,30-,31?,32?,33+,34+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin


J Med Chem 36: 2-10 (1993)


Article DOI: 10.1021/jm00053a001
BindingDB Entry DOI: 10.7270/Q26M3821
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/an/a 2.51E+3n/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50406736
PNG
(CHEMBL406142)
Show SMILES CC(C)C[C@@H]1N2C=CC(NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(N)=O)NC(=O)[C@@H](CCSCCSCC[C@H]3NC(=O)[C@H](CC(C)C)N4C=CC(NC(=O)[C@H](Cc5ccccc5)N(C)C(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(CCC(N)=O)NC3=O)C4=O)NC1=O)C2=O
Show InChI InChI=1S/C82H102N16O14S2/c1-47(2)39-67-77(107)89-59(73(103)87-57(25-27-69(83)99)71(101)93-63(43-51-45-85-55-23-15-13-21-53(51)55)79(109)95(5)65(41-49-17-9-7-10-18-49)75(105)91-61-29-33-97(67)81(61)111)31-35-113-37-38-114-36-32-60-74(104)88-58(26-28-70(84)100)72(102)94-64(44-52-46-86-56-24-16-14-22-54(52)56)80(110)96(6)66(42-50-19-11-8-12-20-50)76(106)92-62-30-34-98(82(62)112)68(40-48(3)4)78(108)90-60/h7-24,29-30,33-34,45-48,57-68,85-86H,25-28,31-32,35-44H2,1-6H3,(H2,83,99)(H2,84,100)(H,87,103)(H,88,104)(H,89,107)(H,90,108)(H,91,105)(H,92,106)(H,93,101)(H,94,102)/t57?,58?,59-,60-,61?,62?,63?,64?,65+,66+,67+,68+/m1/s1
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n/an/an/a 2.51E+3n/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Tested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin


J Med Chem 36: 2-10 (1993)


Article DOI: 10.1021/jm00053a001
BindingDB Entry DOI: 10.7270/Q26M3821
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50406732
PNG
(CHEMBL269731)
Show SMILES CSCC[C@@H]1NC(=O)[C@@H](CC(C)C)N2C=CC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC1=O)C2=O
Show InChI InChI=1S/C40H52N8O9S/c1-23(2)19-32-39(56)44-28(16-18-58-3)35(52)42-22-34(51)43-27(13-14-33(41)50)36(53)46-31(21-25-9-11-26(49)12-10-25)38(55)47-30(20-24-7-5-4-6-8-24)37(54)45-29-15-17-48(32)40(29)57/h4-12,15,17,23,27-32,49H,13-14,16,18-22H2,1-3H3,(H2,41,50)(H,42,52)(H,43,51)(H,44,56)(H,45,54)(H,46,53)(H,47,55)/t27-,28+,29?,30-,31+,32-/m1/s1
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n/an/an/a 3.98E+3n/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin


J Med Chem 36: 2-10 (1993)


Article DOI: 10.1021/jm00053a001
BindingDB Entry DOI: 10.7270/Q26M3821
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50406733
PNG
(CHEMBL2370702)
Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O
Show InChI InChI=1S/C38H50N8O7S/c1-22(2)17-29-37(52)44-28(15-16-54-3)36(51)43-27(13-14-32(39)47)35(50)46-31(19-24-20-40-26-12-8-7-11-25(24)26)38(53)45-30(18-23-9-5-4-6-10-23)34(49)41-21-33(48)42-29/h4-12,20,22,27-31,40H,13-19,21H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,51)(H,44,52)(H,45,53)(H,46,50)/t27-,28+,29-,30-,31+/m0/s1
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n/an/an/a 7.94E+3n/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin (mean +/-, n=4)


J Med Chem 36: 2-10 (1993)


Article DOI: 10.1021/jm00053a001
BindingDB Entry DOI: 10.7270/Q26M3821
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50408386
PNG
(CHEMBL157858)
Show SMILES CC(O)C(NC(C)=O)C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)NC(Cc1ccccc1)C(=O)N(C)C(C)c1ccccc1
Show InChI InChI=1S/C37H43N5O6/c1-23(28-16-10-7-11-17-28)41(5)37(48)32(20-27-14-8-6-9-15-27)40-35(46)31(39-36(47)34(24(2)43)38-25(3)44)22-30-21-29-18-12-13-19-33(29)42(30)26(4)45/h6-19,21,23-24,31-32,34,43H,20,22H2,1-5H3,(H,38,44)(H,39,47)(H,40,46)/t23?,24?,31-,32?,34?/m1/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Antagonistic activity against Tachykinin receptor 3 was determined in the rat everted portal vein (RPV)


J Med Chem 40: 594-601 (1997)


Article DOI: 10.1021/jm960213s
BindingDB Entry DOI: 10.7270/Q27945VP
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50406740
PNG
(CHEMBL266224)
Show SMILES CSCC[C@H]1NC(=O)[C@H](CC(C)C)N2C=CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O
Show InChI InChI=1S/C40H50N8O7S/c1-23(2)19-33-39(54)44-29(16-18-56-3)36(51)43-28(13-14-34(41)49)35(50)47-32(21-25-22-42-27-12-8-7-11-26(25)27)38(53)46-31(20-24-9-5-4-6-10-24)37(52)45-30-15-17-48(33)40(30)55/h4-12,15,17,22-23,28-33,42H,13-14,16,18-21H2,1-3H3,(H2,41,49)(H,43,51)(H,44,54)(H,45,52)(H,46,53)(H,47,50)/t28-,29+,30?,31-,32+,33-/m0/s1
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n/an/an/a 1.26E+4n/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin


J Med Chem 36: 2-10 (1993)


Article DOI: 10.1021/jm00053a001
BindingDB Entry DOI: 10.7270/Q26M3821
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50049319
PNG
(CHEMBL42407 | Lanepitant | N-[(R)-1-{[Acetyl-(2-me...)
Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N1CCCCC1)C(C)=O
Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1
MMDB

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n/an/an/a 2.00E+4n/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
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=1/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)


Article DOI: 10.1016/0024-3205(94)00413-m
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=1/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-/s2
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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=1/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)


Article DOI: 10.1016/0024-3205(94)00413-m
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=1/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))
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)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
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))
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=1/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-/s2
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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))
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))
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=1/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+/s2
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0.300 -50.5n/an/an/an/an/a7.44



Hoffmann-La Roche Inc

US Patent


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


US Patent US9346786 (2016)


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


(Homo sapiens (Human))
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 Ltd

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=1/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-/s2
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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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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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
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