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PubMed code 25247671

Compile data set for download or QSAR
Found 30 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))		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 |r|
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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n/an/a 12n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028014
PNG
(CHEMBL3361397)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
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n/an/a 22n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028015
PNG
(CHEMBL3361398)
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](N)Cc1cnc[nH]1)C(N)=O |r|
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n/an/a 43n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
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](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028021
PNG
(CHEMBL3361404)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)\C=C\CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-16,26,29-33H,17-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/b16-11+/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028016
PNG
(CHEMBL3361399)
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](N)CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H60N8O9S/c1-28(2)22-34(42(59)50-33(40(47)57)20-21-63-4)49-38(54)27-48-44(61)37(25-31-18-12-7-13-19-31)53(3)45(62)36(24-30-16-10-6-11-17-30)52-43(60)35(23-29-14-8-5-9-15-29)51-41(58)32(46)26-39(55)56/h5-19,28,32-37H,20-27,46H2,1-4H3,(H2,47,57)(H,48,61)(H,49,54)(H,50,59)(H,51,58)(H,52,60)(H,55,56)/t32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028025
PNG
(CHEMBL3361408)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H56N8O10S/c1-24(2)19-28(37(55)46-27(36(42)54)17-18-59-4)44-32(41)23-43-39(57)31(21-26-13-9-6-10-14-26)48(3)40(58)30(20-25-11-7-5-8-12-25)47-38(56)29(22-35(52)53)45-33(49)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,44)(H2,42,54)(H,43,57)(H,45,49)(H,46,55)(H,47,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028024
PNG
(CHEMBL3361407)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N\C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)=N/O)C(N)=O |r|
Show InChI InChI=1S/C40H56N8O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-60-4)43-32(47-59)23-42-39(57)31(21-26-13-9-6-10-14-26)48(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)44-33(49)15-16-34(50)51/h5-14,24,27-31,59H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,47)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028018
PNG
(CHEMBL3361401)
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](N)Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H46N6O5S/c1-21(2)17-26(30(41)37-25(29(34)40)15-16-44-4)36-28(39)20-35-31(42)27(19-23-13-9-6-10-14-23)38(3)32(43)24(33)18-22-11-7-5-8-12-22/h5-14,21,24-27H,15-20,33H2,1-4H3,(H2,34,40)(H,35,42)(H,36,39)(H,37,41)/t24-,25-,26-,27-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028017
PNG
(CHEMBL3361400)
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](N)Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C41H55N7O6S/c1-27(2)22-33(39(52)46-32(37(43)50)20-21-55-4)45-36(49)26-44-40(53)35(25-30-18-12-7-13-19-30)48(3)41(54)34(24-29-16-10-6-11-17-29)47-38(51)31(42)23-28-14-8-5-9-15-28/h5-19,27,31-35H,20-26,42H2,1-4H3,(H2,43,50)(H,44,53)(H,45,49)(H,46,52)(H,47,51)/t31-,32-,33-,34-,35-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028023
PNG
(CHEMBL3361406)
Show SMILES CSCC[C@H](NC(=O)C(\CC(C)C)=C\CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-10,12-16,26,30-33H,11,17-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/b29-16+/t30-,31-,32-,33-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028022
PNG
(CHEMBL3361405)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C41H58N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-10,12-15,26,29-33H,11,16-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/t29-,30-,31-,32-,33-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028020
PNG
(CHEMBL3361403)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)NCC(O)=O)C(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O4/c1-24(21(28)17(22)12-15-8-4-2-5-9-15)18(20(27)23-14-19(25)26)13-16-10-6-3-7-11-16/h2-11,17-18H,12-14,22H2,1H3,(H,23,27)(H,25,26)/t17-,18-/m0/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028019
PNG
(CHEMBL3361402)
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](N)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H45N5O6S/c1-21(2)17-26(29(39)36-25(32(42)43)15-16-44-4)35-28(38)20-34-30(40)27(19-23-13-9-6-10-14-23)37(3)31(41)24(33)18-22-11-7-5-8-12-22/h5-14,21,24-27H,15-20,33H2,1-4H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)/t24-,25-,26-,27-/m0/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028025
PNG
(CHEMBL3361408)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H56N8O10S/c1-24(2)19-28(37(55)46-27(36(42)54)17-18-59-4)44-32(41)23-43-39(57)31(21-26-13-9-6-10-14-26)48(3)40(58)30(20-25-11-7-5-8-12-25)47-38(56)29(22-35(52)53)45-33(49)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,44)(H2,42,54)(H,43,57)(H,45,49)(H,46,55)(H,47,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028021
PNG
(CHEMBL3361404)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)\C=C\CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-16,26,29-33H,17-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/b16-11+/t29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
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](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50028021
PNG
(CHEMBL3361404)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)\C=C\CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-16,26,29-33H,17-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/b16-11+/t29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at rat NK3R

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
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](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at rat NK3R

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028024
PNG
(CHEMBL3361407)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N\C(CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)=N/O)C(N)=O |r|
Show InChI InChI=1S/C40H56N8O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-60-4)43-32(47-59)23-42-39(57)31(21-26-13-9-6-10-14-26)48(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)44-33(49)15-16-34(50)51/h5-14,24,27-31,59H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,47)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028016
PNG
(CHEMBL3361399)
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](N)CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H60N8O9S/c1-28(2)22-34(42(59)50-33(40(47)57)20-21-63-4)49-38(54)27-48-44(61)37(25-31-18-12-7-13-19-31)53(3)45(62)36(24-30-16-10-6-11-17-30)52-43(60)35(23-29-14-8-5-9-15-29)51-41(58)32(46)26-39(55)56/h5-19,28,32-37H,20-27,46H2,1-4H3,(H2,47,57)(H,48,61)(H,49,54)(H,50,59)(H,51,58)(H,52,60)(H,55,56)/t32-,33-,34-,35-,36-,37-/m0/s1
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n/an/an/an/a 91n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028019
PNG
(CHEMBL3361402)
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](N)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H45N5O6S/c1-21(2)17-26(29(39)36-25(32(42)43)15-16-44-4)35-28(38)20-34-30(40)27(19-23-13-9-6-10-14-23)37(3)31(41)24(33)18-22-11-7-5-8-12-22/h5-14,21,24-27H,15-20,33H2,1-4H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)/t24-,25-,26-,27-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028018
PNG
(CHEMBL3361401)
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](N)Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H46N6O5S/c1-21(2)17-26(30(41)37-25(29(34)40)15-16-44-4)36-28(39)20-35-31(42)27(19-23-13-9-6-10-14-23)38(3)32(43)24(33)18-22-11-7-5-8-12-22/h5-14,21,24-27H,15-20,33H2,1-4H3,(H2,34,40)(H,35,42)(H,36,39)(H,37,41)/t24-,25-,26-,27-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028014
PNG
(CHEMBL3361397)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
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n/an/an/an/a 330n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028022
PNG
(CHEMBL3361405)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C41H58N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-10,12-15,26,29-33H,11,16-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/t29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 920n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028017
PNG
(CHEMBL3361400)
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](N)Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C41H55N7O6S/c1-27(2)22-33(39(52)46-32(37(43)50)20-21-55-4)45-36(49)26-44-40(53)35(25-30-18-12-7-13-19-30)48(3)41(54)34(24-29-16-10-6-11-17-29)47-38(51)31(42)23-28-14-8-5-9-15-28/h5-19,27,31-35H,20-26,42H2,1-4H3,(H2,43,50)(H,44,53)(H,45,49)(H,46,52)(H,47,51)/t31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
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 |r|
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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n/an/an/an/a 64n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028023
PNG
(CHEMBL3361406)
Show SMILES CSCC[C@H](NC(=O)C(\CC(C)C)=C\CCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C41H56N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-10,12-16,26,30-33H,11,17-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/b29-16+/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028015
PNG
(CHEMBL3361398)
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](N)Cc1cnc[nH]1)C(N)=O |r|
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n/an/an/an/a 280n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50028020
PNG
(CHEMBL3361403)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)NCC(O)=O)C(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O4/c1-24(21(28)17(22)12-15-8-4-2-5-9-15)18(20(27)23-14-19(25)26)13-16-10-6-3-7-11-16/h2-11,17-18H,12-14,22H2,1H3,(H,23,27)(H,25,26)/t17-,18-/m0/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting

J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%