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Compile Data Set for Download or QSAR

Found 1098 hits Enz. Inhib. hit(s) with Target = 'Neurokinin 3 receptor'   
Target
(Institution)
LigandTarget
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
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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)

More data for this
Ligand-Target Pair
Neurokinin 3 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)

More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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)

More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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)

More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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)

More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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

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...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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]


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081198
PNG
(CHEMBL3422018)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/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-/s2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081198
PNG
(CHEMBL3422018)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081196
PNG
(CHEMBL3422015)
Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/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-/s2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50081396
PNG
(CHEMBL3422014)
Show SMILES CC(C)c1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/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-/s2
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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...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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
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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432270
PNG
(CHEMBL2347493)
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](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C56H80N14O15S2/c1-31(2)22-39(52(81)64-36(48(59)77)18-20-86-4)63-45(72)29-61-55(84)43(24-33-14-10-7-11-15-33)70(3)56(85)42(23-32-12-8-6-9-13-32)69-50(79)37(16-17-44(58)71)66-54(83)41(27-47(75)76)68-53(82)40(25-34-28-60-30-62-34)67-51(80)38(19-21-87-5)65-49(78)35(57)26-46(73)74/h6-15,28,30-31,35-43H,16-27,29,57H2,1-5H3,(H2,58,71)(H2,59,77)(H,60,62)(H,61,84)(H,63,72)(H,64,81)(H,65,78)(H,66,83)(H,67,80)(H,68,82)(H,69,79)(H,73,74)(H,75,76)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 4.60n/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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50331034
PNG
(2-phenyl-N-(1-(pyridin-2-yl)propyl)quinoline-4-car...)
Show SMILES CCC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H21N3O/c1-2-20(22-14-8-9-15-25-22)27-24(28)19-16-23(17-10-4-3-5-11-17)26-21-13-7-6-12-18(19)21/h3-16,20H,2H2,1H3,(H,27,28)
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n/an/a 5.20n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432259
PNG
(CHEMBL2347662)
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)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C59H85N13O17S/c1-33(2)26-39(52(82)65-36(50(61)80)22-25-90-4)64-47(75)31-62-56(86)45(28-35-16-9-6-10-17-35)71(3)58(88)42(27-34-14-7-5-8-15-34)69-54(84)41(30-49(78)79)68-53(83)40(29-48(76)77)67-51(81)37(18-11-12-23-60)66-55(85)43(32-73)70-57(87)44-19-13-24-72(44)59(89)38-20-21-46(74)63-38/h5-10,14-17,33,36-45,73H,11-13,18-32,60H2,1-4H3,(H2,61,80)(H,62,86)(H,63,74)(H,64,75)(H,65,82)(H,66,85)(H,67,81)(H,68,83)(H,69,84)(H,70,87)(H,76,77)(H,78,79)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 5.5n/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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50194571
PNG
(CHEMBL221444 | N-phenyl-N'-{2-phenyl-3-[1-(tetrahy...)
Show SMILES COC(=O)N(NC(=O)c1c(CC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H38N4O4/c1-42-35(41)39(28-12-6-3-7-13-28)37-34(40)32-29-14-8-9-15-31(29)36-33(26-10-4-2-5-11-26)30(32)24-25-16-20-38(21-17-25)27-18-22-43-23-19-27/h2-15,25,27H,16-24H2,1H3,(H,37,40)
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n/an/a 5.70n/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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50194560
PNG
(CHEMBL220803 | N'-[8-fluoro-3-(4-isopropyl-piperaz...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H34FN5O3/c1-22(2)37-19-17-36(18-20-37)21-26-28(31(39)35-38(32(40)41-3)24-13-8-5-9-14-24)25-15-10-16-27(33)30(25)34-29(26)23-11-6-4-7-12-23/h4-16,22H,17-21H2,1-3H3,(H,35,39)
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n/an/a 5.80n/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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50194566
PNG
(CHEMBL218639 | N'-[3-(4-isopropyl-piperazin-1-ylme...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H35N5O3/c1-23(2)36-20-18-35(19-21-36)22-27-29(31(38)34-37(32(39)40-3)25-14-8-5-9-15-25)26-16-10-11-17-28(26)33-30(27)24-12-6-4-7-13-24/h4-17,23H,18-22H2,1-3H3,(H,34,38)
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n/an/a 5.80n/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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432243
PNG
(CHEMBL2347513)
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](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
Show InChI InChI=1S/C57H79N15O14S2/c1-32(2)20-40(52(81)66-38(49(59)78)16-18-87-4)65-46(73)29-62-56(85)45(22-34-14-10-7-11-15-34)72(3)57(86)44(21-33-12-8-6-9-13-33)71-54(83)42(24-36-28-61-31-64-36)69-55(84)43(26-48(76)77)70-53(82)41(23-35-27-60-30-63-35)68-51(80)39(17-19-88-5)67-50(79)37(58)25-47(74)75/h6-15,27-28,30-32,37-45H,16-26,29,58H2,1-5H3,(H2,59,78)(H,60,63)(H,61,64)(H,62,85)(H,65,73)(H,66,81)(H,67,79)(H,68,80)(H,69,84)(H,70,82)(H,71,83)(H,74,75)(H,76,77)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 5.90n/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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluores...


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50112180
PNG
(CHEMBL3608688)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)(F)F)C(=O)c1ccc(F)cc1
Show InChI InChI=1/C16H12F4N6OS/c1-8-11-22-23-12(13-21-15(24-28-13)16(18,19)20)26(11)7-6-25(8)14(27)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3/t8-/s2
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n/an/a 6.30n/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)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50070354
PNG
(8-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-...)
Show SMILES Clc1ccc(cc1Cl)C1(CCCN2CCC3(CN(NC3=O)c3ccccc3)CC2)CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C34H38Cl2N4O2/c35-29-14-13-27(23-30(29)36)33(16-8-20-39(24-33)31(41)26-9-3-1-4-10-26)15-7-19-38-21-17-34(18-22-38)25-40(37-32(34)42)28-11-5-2-6-12-28/h1-6,9-14,23H,7-8,15-22,24-25H2,(H,37,42)
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n/an/a 6.80n/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)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432274
PNG
(CHEMBL2347489)
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(C)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
Show InChI InChI=1S/C57H83N13O14S2/c1-32(2)22-40(52(79)64-38(49(59)76)18-20-85-6)63-46(71)30-61-56(83)45(25-35-16-12-9-13-17-35)70(5)57(84)44(24-34-14-10-8-11-15-34)69-53(80)41(23-33(3)4)66-55(82)43(28-48(74)75)68-54(81)42(26-36-29-60-31-62-36)67-51(78)39(19-21-86-7)65-50(77)37(58)27-47(72)73/h8-17,29,31-33,37-45H,18-28,30,58H2,1-7H3,(H2,59,76)(H,60,62)(H,61,83)(H,63,71)(H,64,79)(H,65,77)(H,66,82)(H,67,78)(H,68,81)(H,69,80)(H,72,73)(H,74,75)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 6.90n/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


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Homo sapiens (Human))
BDBM50432250
PNG
(CHEMBL2347506)
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](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C58H85N13O15S/c1-33(2)27-40(53(81)65-37(49(60)77)23-26-87-5)64-47(74)31-61-55(83)45(29-36-17-10-7-11-18-36)70(4)57(85)42(28-35-15-8-6-9-16-35)68-50(78)34(3)62-52(80)41(30-48(75)76)67-51(79)38(19-12-13-24-59)66-54(82)43(32-72)69-56(84)44-20-14-25-71(44)58(86)39-21-22-46(73)63-39/h6-11,15-18,33-34,37-45,72H,12-14,19-32,59H2,1-5H3,(H2,60,77)(H,61,83)(H,62,80)(H,63,73)(H,64,74)(H,65,81)(H,66,82)(H,67,79)(H,68,78)(H,69,84)(H,75,76)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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PubMed
n/an/a 7n/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


Citation and Details
More data for this
Ligand-Target Pair
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