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Compile Data Set for Download or QSAR

Found 627 hits of ic50 for UniProtKB: P29371   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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 |r|
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/a 0.210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells

Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194553
PNG
(CHEMBL222078 | N'-[3-(4-benzenesulfonyl-piperazin-...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H33N5O5S/c1-45-35(42)40(27-15-7-3-8-16-27)37-34(41)32-29-19-11-12-20-31(29)36-33(26-13-5-2-6-14-26)30(32)25-38-21-23-39(24-22-38)46(43,44)28-17-9-4-10-18-28/h2-20H,21-25H2,1H3,(H,37,41)
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n/an/a 0.720n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
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 |r|
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/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors

Bioorg Med Chem Lett 7: 555-560 (1997)


Article DOI: 10.1016/S0960-894X(97)00064-4
BindingDB Entry DOI: 10.7270/Q2MK6CX0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194591
PNG
(3-methoxy-N',N',2-triphenylquinoline-4-carbohydraz...)
Show SMILES COc1c(nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O2/c1-34-28-26(24-19-11-12-20-25(24)30-27(28)21-13-5-2-6-14-21)29(33)31-32(22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-20H,1H3,(H,31,33)
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n/an/a 0.850n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5748-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.086
BindingDB Entry DOI: 10.7270/Q2W66MK3
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 1n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells

Bioorg Med Chem Lett 8: 1343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QV3N16
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50070355
PNG
(3-(3,4-dichlorophenyl)-3-{3-[1-methylsulfonylspiro...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CCCC3(CCCN(C3)C(=O)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc12
Show InChI InChI=1S/C34H39Cl2N3O3S/c1-43(41,42)39-25-34(28-11-5-6-12-31(28)39)17-21-37(22-18-34)19-7-15-33(27-13-14-29(35)30(36)23-27)16-8-20-38(24-33)32(40)26-9-3-2-4-10-26/h2-6,9-14,23H,7-8,15-22,24-25H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human Neurokinin NK3 receptor

Bioorg Med Chem Lett 8: 1343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QV3N16
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50070351
PNG
(1-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperid...)
Show SMILES CC(=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-12-6-3-7-13-28)18-22-37(23-19-34)20-8-16-33(29-14-15-30(35)31(36)24-29)17-9-21-38(25-33)32(40)27-10-4-2-5-11-27/h2-7,10-15,24H,8-9,16-23,25H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human Neurokinin NK3 receptor

Bioorg Med Chem Lett 8: 1343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QV3N16
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194573
PNG
(CHEMBL375419 | N'-{8-fluoro-3-[4-(1-methyl-cyclohe...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCCCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H40FN5O3/c1-36(19-10-5-11-20-36)41-23-21-40(22-24-41)25-29-31(34(43)39-42(35(44)45-2)27-15-8-4-9-16-27)28-17-12-18-30(37)33(28)38-32(29)26-13-6-3-7-14-26/h3-4,6-9,12-18H,5,10-11,19-25H2,1-2H3,(H,39,43)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432275
PNG
(CHEMBL2347488)
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](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(C)C)C(N)=O |r|
Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(23-33-14-10-8-11-15-33)67-55(82)47(32(3)4)68-53(80)41(27-46(73)74)66-52(79)40(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,60,81)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,79)(H,67,82)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432242
PNG
(CHEMBL2347361)
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](Cc1ccc(O)cc1)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/C60H81N13O15S2/c1-34(2)24-43(55(83)67-41(52(62)80)20-22-89-4)66-49(75)32-64-59(87)48(27-36-14-10-7-11-15-36)73(3)60(88)47(26-35-12-8-6-9-13-35)72-56(84)44(25-37-16-18-39(74)19-17-37)69-58(86)46(30-51(78)79)71-57(85)45(28-38-31-63-33-65-38)70-54(82)42(21-23-90-5)68-53(81)40(61)29-50(76)77/h6-19,31,33-34,40-48,74H,20-30,32,61H2,1-5H3,(H2,62,80)(H,63,65)(H,64,87)(H,66,75)(H,67,83)(H,68,81)(H,69,86)(H,70,82)(H,71,85)(H,72,84)(H,76,77)(H,78,79)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194564
PNG
(CHEMBL374307 | N'-[3-(4-benzyl-piperazin-1-ylmethy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H35N5O3/c1-44-36(43)41(29-17-9-4-10-18-29)38-35(42)33-30-19-11-12-20-32(30)37-34(28-15-7-3-8-16-28)31(33)26-40-23-21-39(22-24-40)25-27-13-5-2-6-14-27/h2-20H,21-26H2,1H3,(H,38,42)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50180193
PNG
(AZD-2624 | AZD2624)
Show SMILES CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method

Bioorg Med Chem 24: 3494-500 (2016)


Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432267
PNG
(CHEMBL2347496)
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](CCSC)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/C56H81N13O14S3/c1-32(2)23-40(52(79)63-37(48(58)75)17-20-84-4)62-45(70)30-60-55(82)44(25-34-15-11-8-12-16-34)69(3)56(83)43(24-33-13-9-7-10-14-33)68-51(78)39(19-22-86-6)65-54(81)42(28-47(73)74)67-53(80)41(26-35-29-59-31-61-35)66-50(77)38(18-21-85-5)64-49(76)36(57)27-46(71)72/h7-16,29,31-32,36-44H,17-28,30,57H2,1-6H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,79)(H,64,76)(H,65,81)(H,66,77)(H,67,80)(H,68,78)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432241
PNG
(CHEMBL2347362)
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](Cc1c[nH]c2ccccc12)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/C62H82N14O14S2/c1-35(2)24-45(57(85)70-43(54(64)82)20-22-91-4)69-51(77)33-67-61(89)50(26-37-16-10-7-11-17-37)76(3)62(90)49(25-36-14-8-6-9-15-36)75-58(86)46(27-38-31-66-42-19-13-12-18-40(38)42)72-60(88)48(30-53(80)81)74-59(87)47(28-39-32-65-34-68-39)73-56(84)44(21-23-92-5)71-55(83)41(63)29-52(78)79/h6-19,31-32,34-35,41,43-50,66H,20-30,33,63H2,1-5H3,(H2,64,82)(H,65,68)(H,67,89)(H,69,77)(H,70,85)(H,71,83)(H,72,88)(H,73,84)(H,74,87)(H,75,86)(H,78,79)(H,80,81)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194557
PNG
(CHEMBL221238 | N-phenyl-N'-{2-phenyl-3-[4-(tetrahy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCSCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H37N5O3S/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40)
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081196
PNG
(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Ogeda SA.

US Patent


Assay Description
The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...

US Patent US10065961 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081198
PNG
(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Ogeda SA.

US Patent


Assay Description
The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...

US Patent US10065961 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
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)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(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB

J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081196
PNG
(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Euroscreen S.A.

US Patent


Assay Description
Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...

US Patent US9475814 (2016)


BindingDB Entry DOI: 10.7270/Q2B8571Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194567
PNG
(CHEMBL221237 | N'-[3-(4-cyclohexyl-piperazin-1-ylm...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H39N5O3/c1-43-35(42)40(28-17-9-4-10-18-28)37-34(41)32-29-19-11-12-20-31(29)36-33(26-13-5-2-6-14-26)30(32)25-38-21-23-39(24-22-38)27-15-7-3-8-16-27/h2,4-6,9-14,17-20,27H,3,7-8,15-16,21-25H2,1H3,(H,37,41)
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081198
PNG
(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Euroscreen S.A.

US Patent


Assay Description
Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...

US Patent US9475814 (2016)


BindingDB Entry DOI: 10.7270/Q2B8571Q
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 |r|
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/a 2.40n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5748-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.086
BindingDB Entry DOI: 10.7270/Q2W66MK3
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432245
PNG
(CHEMBL2347511)
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](CCCN=C(N)N)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,wU:80.83,62.71,43.52,20.28,8.12,wD:72.79,54.60,32.41,4.4,(45.8,-105.89,;44.44,-105.1,;44.44,-103.58,;43.09,-102.79,;43.09,-101.27,;41.77,-100.51,;40.41,-101.29,;40.41,-102.81,;39.1,-100.53,;39.1,-98.97,;40.41,-98.21,;40.41,-96.64,;41.73,-98.97,;37.75,-101.31,;36.42,-100.55,;36.42,-98.99,;35.07,-101.33,;33.75,-100.56,;32.4,-101.35,;32.4,-102.87,;31.07,-100.58,;31.07,-99.02,;32.4,-98.26,;33.72,-99,;35.06,-98.23,;35.05,-96.68,;33.71,-95.92,;32.37,-96.7,;29.72,-101.37,;29.72,-102.91,;28.4,-100.61,;28.4,-99.05,;27.05,-101.39,;27.04,-102.91,;26.24,-104.25,;27.02,-105.61,;26.23,-106.93,;24.7,-106.92,;23.93,-105.57,;24.72,-104.24,;25.73,-100.63,;24.37,-101.4,;24.37,-102.93,;23.06,-100.64,;23.06,-99.08,;24.39,-98.31,;24.39,-96.77,;25.72,-96,;25.72,-94.47,;27.05,-93.7,;24.39,-93.7,;21.7,-101.42,;20.38,-100.66,;20.38,-99.1,;19.03,-101.45,;19.03,-102.97,;20.38,-103.75,;21.73,-102.97,;20.38,-105.27,;17.71,-100.68,;16.35,-101.47,;16.35,-102.99,;15.03,-100.7,;15.03,-99.14,;16.36,-98.37,;17.76,-98.98,;18.78,-97.82,;18,-96.49,;16.5,-96.82,;13.68,-101.48,;12.36,-100.72,;12.36,-99.16,;11.01,-101.5,;11.01,-103.03,;12.36,-103.81,;12.36,-105.34,;13.71,-106.11,;9.68,-100.73,;8.34,-101.5,;8.34,-103.05,;7.01,-100.73,;5.67,-101.51,;7.01,-99.19,;8.33,-98.44,;9.66,-99.2,;8.33,-96.87,;44.44,-100.49,;45.76,-101.25,;44.44,-98.92,)|
Show InChI InChI=1S/C57H84N16O14S2/c1-32(2)23-40(52(83)67-37(48(59)79)18-21-88-4)66-45(74)30-64-55(86)44(25-34-15-10-7-11-16-34)73(3)56(87)43(24-33-13-8-6-9-14-33)72-50(81)38(17-12-20-63-57(60)61)69-54(85)42(28-47(77)78)71-53(84)41(26-35-29-62-31-65-35)70-51(82)39(19-22-89-5)68-49(80)36(58)27-46(75)76/h6-11,13-16,29,31-32,36-44H,12,17-28,30,58H2,1-5H3,(H2,59,79)(H,62,65)(H,64,86)(H,66,74)(H,67,83)(H,68,80)(H,69,85)(H,70,82)(H,71,84)(H,72,81)(H,75,76)(H,77,78)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50070360
PNG
(3-(3,4-dichlorophenyl)-3-[3-spiro[2,3-dihydro-1H-i...)
Show SMILES Clc1ccc(cc1Cl)C1(CCCN2CCC3(CCc4ccccc34)CC2)CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C34H38Cl2N2O/c35-30-13-12-28(24-31(30)36)34(16-7-21-38(25-34)32(39)27-9-2-1-3-10-27)15-6-20-37-22-18-33(19-23-37)17-14-26-8-4-5-11-29(26)33/h1-5,8-13,24H,6-7,14-23,25H2
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n/an/a 2.60n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human Neurokinin NK3 receptor

Bioorg Med Chem Lett 8: 1343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QV3N16
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM251907
PNG
(US10065961, Compound 5 | US10683295, Compound 5 | ...)
Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H21N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h4-9,12-14H,3,10-11H2,1-2H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Ogeda SA.

US Patent


Assay Description
The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...

US Patent US10065961 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM251923
PNG
(BDBM272562 | US10683295, Compound 25 | US10941151,...)
Show SMILES CC(C)c1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H22N6OS2/c1-13(2)18-23-21(31-26-18)20-25-24-19-14(3)27(10-11-28(19)20)22(29)16-8-6-15(7-9-16)17-5-4-12-30-17/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Euroscreen S.A.

US Patent


Assay Description
Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...

US Patent US9475814 (2016)


BindingDB Entry DOI: 10.7270/Q2B8571Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM251923
PNG
(BDBM272562 | US10683295, Compound 25 | US10941151,...)
Show SMILES CC(C)c1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H22N6OS2/c1-13(2)18-23-21(31-26-18)20-25-24-19-14(3)27(10-11-28(19)20)22(29)16-8-6-15(7-9-16)17-5-4-12-30-17/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Ogeda SA.

US Patent


Assay Description
The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...

US Patent US10065961 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM251909
PNG
(US10065961, Compound 7 | US10683295, Compound 7 | ...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H19N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h3-9,12-14H,1,10-11H2,2H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Ogeda SA.

US Patent


Assay Description
The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...

US Patent US10065961 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM251909
PNG
(US10065961, Compound 7 | US10683295, Compound 7 | ...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C=C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H19N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h3-9,12-14H,1,10-11H2,2H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Euroscreen S.A.

US Patent


Assay Description
Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...

US Patent US9475814 (2016)


BindingDB Entry DOI: 10.7270/Q2B8571Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM251907
PNG
(US10065961, Compound 5 | US10683295, Compound 5 | ...)
Show SMILES CCc1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C22H21N5OS2/c1-3-19-23-17(13-30-19)21-25-24-20-14(2)26(10-11-27(20)21)22(28)16-8-6-15(7-9-16)18-5-4-12-29-18/h4-9,12-14H,3,10-11H2,1-2H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Euroscreen S.A.

US Patent


Assay Description
Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...

US Patent US9475814 (2016)


BindingDB Entry DOI: 10.7270/Q2B8571Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194556
PNG
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40)
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
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)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(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells

Bioorg Med Chem Lett 8: 1343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QV3N16
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/a 3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194570
PNG
(CHEMBL220963 | N-phenyl-N'-{2-phenyl-3-[4-(tetrahy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H37N5O4/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40)
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n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194565
PNG
(CHEMBL375639 | N'-{8-fluoro-3-[4-(4-methyl-tetrahy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H38FN5O4/c1-35(16-22-45-23-17-35)40-20-18-39(19-21-40)24-28-30(33(42)38-41(34(43)44-2)26-12-7-4-8-13-26)27-14-9-15-29(36)32(27)37-31(28)25-10-5-3-6-11-25/h3-15H,16-24H2,1-2H3,(H,38,42)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194561
PNG
(CHEMBL375638 | N'-{8-fluoro-2-phenyl-3-[4-(tetrahy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H36FN5O4/c1-43-34(42)40(26-11-6-3-7-12-26)37-33(41)30-27-13-8-14-29(35)32(27)36-31(24-9-4-2-5-10-24)28(30)23-38-17-19-39(20-18-38)25-15-21-44-22-16-25/h2-14,25H,15-23H2,1H3,(H,37,41)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432269
PNG
(CHEMBL2347494)
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](CO)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/C54H77N13O15S2/c1-30(2)20-37(49(77)61-35(46(56)74)16-18-83-4)60-43(69)27-58-53(81)42(22-32-14-10-7-11-15-32)67(3)54(82)40(21-31-12-8-6-9-13-31)65-52(80)41(28-68)66-51(79)39(25-45(72)73)64-50(78)38(23-33-26-57-29-59-33)63-48(76)36(17-19-84-5)62-47(75)34(55)24-44(70)71/h6-15,26,29-30,34-42,68H,16-25,27-28,55H2,1-5H3,(H2,56,74)(H,57,59)(H,58,81)(H,60,69)(H,61,77)(H,62,75)(H,63,76)(H,64,78)(H,65,80)(H,66,79)(H,70,71)(H,72,73)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as rad...

Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50180171
PNG
(CHEMBL3813763)
Show SMILES CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1O)c1ccccc1 |r|
Show InChI InChI=1S/C26H25N3O4S/c1-3-20(17-11-5-4-6-12-17)28-26(31)23-18-13-7-9-15-21(18)27-24(25(23)29-34(2,32)33)19-14-8-10-16-22(19)30/h4-16,20,29-30H,3H2,1-2H3,(H,28,31)/t20-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method

Bioorg Med Chem 24: 3494-500 (2016)


Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]

J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081196
PNG
(CHEMBL3422015 | US10065961, Compound 13 | US106832...)
Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...

J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081396
PNG
(CHEMBL3422014)
Show SMILES CC(C)c1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C23H23N5OS2/c1-14(2)22-24-18(13-31-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-30-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...

J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194556
PNG
(CHEMBL221445 | N'-[3-(4-tert-butyl-piperazin-1-ylm...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40)
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432273
PNG
(CHEMBL2347490)
Show SMILES CCC(C)[C@H](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(=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|
Show InChI InChI=1S/C57H83N13O14S2/c1-8-33(4)48(69-54(81)42(28-47(74)75)67-53(80)41(26-36-29-60-31-62-36)66-51(78)39(20-22-86-7)65-50(77)37(58)27-46(72)73)56(83)68-43(24-34-15-11-9-12-16-34)57(84)70(5)44(25-35-17-13-10-14-18-35)55(82)61-30-45(71)63-40(23-32(2)3)52(79)64-38(49(59)76)19-21-85-6/h9-18,29,31-33,37-44,48H,8,19-28,30,58H2,1-7H3,(H2,59,76)(H,60,62)(H,61,82)(H,63,71)(H,64,79)(H,65,77)(H,66,78)(H,67,80)(H,68,83)(H,69,81)(H,72,73)(H,74,75)/t33?,37-,38-,39-,40-,41-,42-,43-,44-,48-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081198
PNG
(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...

J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50081198
PNG
(CHEMBL3422018 | US10065961, Compound 24 | US947581...)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay

ACS Med Chem Lett 6: 736-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194588
PNG
(CHEMBL218421 | N'-(8-fluoro-3-methoxy-2-phenyl-qui...)
Show SMILES COC(=O)N(NC(=O)c1c(OC)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20FN3O4/c1-32-23-20(24(30)28-29(25(31)33-2)17-12-7-4-8-13-17)18-14-9-15-19(26)22(18)27-21(23)16-10-5-3-6-11-16/h3-15H,1-2H3,(H,28,30)
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n/an/a 4.10n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5748-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.086
BindingDB Entry DOI: 10.7270/Q2W66MK3
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432268
PNG
(CHEMBL2347495)
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](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@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C55H79N13O15S2/c1-30(2)21-38(50(78)62-36(47(57)75)17-19-84-5)61-43(70)28-59-53(81)42(23-33-15-11-8-12-16-33)68(4)55(83)41(22-32-13-9-7-10-14-32)66-54(82)46(31(3)69)67-52(80)40(26-45(73)74)65-51(79)39(24-34-27-58-29-60-34)64-49(77)37(18-20-85-6)63-48(76)35(56)25-44(71)72/h7-16,27,29-31,35-42,46,69H,17-26,28,56H2,1-6H3,(H2,57,75)(H,58,60)(H,59,81)(H,61,70)(H,62,78)(H,63,76)(H,64,77)(H,65,79)(H,66,82)(H,67,80)(H,71,72)(H,73,74)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,46+/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50432272
PNG
(CHEMBL2347491)
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](C)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/C54H77N13O14S2/c1-30(2)21-38(51(78)62-36(46(56)73)17-19-82-5)61-43(68)28-58-53(80)42(23-33-15-11-8-12-16-33)67(4)54(81)41(22-32-13-9-7-10-14-32)66-47(74)31(3)60-50(77)40(26-45(71)72)65-52(79)39(24-34-27-57-29-59-34)64-49(76)37(18-20-83-6)63-48(75)35(55)25-44(69)70/h7-16,27,29-31,35-42H,17-26,28,55H2,1-6H3,(H2,56,73)(H,57,59)(H,58,80)(H,60,77)(H,61,68)(H,62,78)(H,63,75)(H,64,76)(H,65,79)(H,66,74)(H,69,70)(H,71,72)/t31-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis

Bioorg Med Chem 21: 2413-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.036
BindingDB Entry DOI: 10.7270/Q20K29X2
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50194575
PNG
(CHEMBL219162 | N'-(3-methoxy-2-phenyl-quinoline-4-...)
Show SMILES COC(=O)N(NC(=O)c1c(OC)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H21N3O4/c1-31-23-21(24(29)27-28(25(30)32-2)18-13-7-4-8-14-18)19-15-9-10-16-20(19)26-22(23)17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to gerbil NK3 receptor

Bioorg Med Chem Lett 16: 5748-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.086
BindingDB Entry DOI: 10.7270/Q2W66MK3
More data for this
Ligand-Target Pair
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