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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' AND taxid = 10116   
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


(Rattus norvegicus)
BDBM50290462
PNG
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12
Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-3 receptor was determined in vitro using isolated rat portal vein.


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


(Rattus norvegicus)
BDBM50290461
PNG
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)
Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1
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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-3 receptor was determined in vitro using isolated rat portal vein.


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081194
PNG
(CHEMBL3422009)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/C26H19F2N5OS2/c1-15-23-30-31-24(21-14-36-25(29-21)19-9-8-18(27)13-20(19)28)33(23)11-10-32(15)26(34)17-6-4-16(5-7-17)22-3-2-12-35-22/h2-9,12-15H,10-11H2,1H3/t15-/s2
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13n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081194
PNG
(CHEMBL3422009)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/C26H19F2N5OS2/c1-15-23-30-31-24(21-14-36-25(29-21)19-9-8-18(27)13-20(19)28)33(23)11-10-32(15)26(34)17-6-4-16(5-7-17)22-3-2-12-35-22/h2-9,12-15H,10-11H2,1H3/t15-/s2
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13n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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20n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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22n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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22n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


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

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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32n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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32n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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50n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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56n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


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


(Rattus norvegicus)
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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57n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081195
PNG
(CHEMBL3422010)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/s2
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76n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


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

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081195
PNG
(CHEMBL3422010)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/s2
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76n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081195
PNG
(CHEMBL3422010)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/s2
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79n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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85n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


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

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081197
PNG
(CHEMBL3422017)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/s2
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116n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50081197
PNG
(CHEMBL3422017)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/s2
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126n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


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


(Rattus norvegicus)
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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190n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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193n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
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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200n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50112244
PNG
(CHEMBL3608680)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1
Show InChI InChI=1/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/s2
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219n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


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

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50112245
PNG
(CHEMBL3608741)
Show SMILES Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/s2
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244n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


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

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50341075
PNG
((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyp...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O2/c1-28-20-5-3-2-4-19(20)25-10-12-26(13-11-25)21(27)18-14-17(23-24-18)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3,(H,23,24)
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250n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50112179
PNG
(CHEMBL3608740)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1
Show InChI InChI=1/C16H16N6OS/c1-10-13-18-19-14(15-17-11(2)20-24-15)22(13)9-8-21(10)16(23)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/s2
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573n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


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

More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50112183
PNG
(CHEMBL3608684)
Show SMILES Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3
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2.03E+3n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3R


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

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50341081
PNG
((5-(4-chlorophenyl)-1-methyl-1H-pyrazol-3-yl)(4-(2...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
Show InChI InChI=1S/C22H23ClN4O2/c1-25-20(16-7-9-17(23)10-8-16)15-18(24-25)22(28)27-13-11-26(12-14-27)19-5-3-4-6-21(19)29-2/h3-10,15H,11-14H2,1-2H3
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3.40E+3n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay


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


(Rattus norvegicus)
BDBM50341080
PNG
((3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(2...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O2/c1-25-20(15-18(24-25)16-7-9-17(23)10-8-16)22(28)27-13-11-26(12-14-27)19-5-3-4-6-21(19)29-2/h3-10,15H,11-14H2,1-2H3
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3.70E+3n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay


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


(Rattus norvegicus)
BDBM50341076
PNG
((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyb...)
Show SMILES COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O2/c1-29-21-5-3-2-4-17(21)15-26-10-12-27(13-11-26)22(28)20-14-19(24-25-20)16-6-8-18(23)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,24,25)
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4.00E+3n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor


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


(Rattus norvegicus)
BDBM50341074
PNG
((4-(2-methoxyphenyl)piperazin-1-yl)(3-phenyl-1H-py...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,23)
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1.20E+4n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 3 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/a 11n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


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


(Rattus norvegicus)
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 30n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


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


(Rattus norvegicus)
BDBM50030146
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tle-Gly-Leu-Met | CHEM...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C60H100N18O13S/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-6)70-47(81)33-69-56(89)48(60(3,4)5)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
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 66n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat NK3 receptor


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


(Rattus norvegicus)
BDBM50050652
PNG
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


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


(Rattus norvegicus)
BDBM50030158
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Gly-Leu-Met | CHEM...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C1c2ccccc2-c2ccccc12)C(N)=O
Show InChI InChI=1S/C69H100N18O13S/c1-39(2)36-50(62(94)80-46(59(74)91)30-35-101-3)79-56(90)38-78-66(98)58(57-43-20-9-7-18-41(43)42-19-8-10-21-44(42)57)85-63(95)51(37-40-16-5-4-6-17-40)84-61(93)47(26-28-54(72)88)81-60(92)48(27-29-55(73)89)82-64(96)53-25-15-34-87(53)68(100)49(23-11-12-31-70)83-65(97)52-24-14-33-86(52)67(99)45(71)22-13-32-77-69(75)76/h4-10,16-21,39,45-53,57-58H,11-15,22-38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,98)(H,79,90)(H,80,94)(H,81,92)(H,82,96)(H,83,97)(H,84,93)(H,85,95)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50407164
PNG
(CHEMBL2115376)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@H]1CCc2ccccc12)C(N)=O
Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(58(90)76-43(55(70)87)28-33-97-3)75-53(86)36-74-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-59(91)48(35-38-14-5-4-6-15-38)80-57(89)44(24-26-51(68)84)77-56(88)45(25-27-52(69)85)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,94)(H,75,86)(H,76,90)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H,81,91)(H4,71,72,73)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,54-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030166
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(S-Me)-Gly-Leu-Met ...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)SC)C(N)=O
Show InChI InChI=1S/C60H100N18O13S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-5)70-47(81)33-69-56(89)48(60(3,4)93-6)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
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Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50407161
PNG
(CHEMBL2114443)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H]1CCc2ccccc12)C(N)=O
Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(58(90)76-43(55(70)87)28-33-97-3)75-53(86)36-74-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-59(91)48(35-38-14-5-4-6-15-38)80-57(89)44(24-26-51(68)84)77-56(88)45(25-27-52(69)85)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,94)(H,75,86)(H,76,90)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H,81,91)(H4,71,72,73)/t41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,54+/m1/s1
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Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030153
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(SO2-Me)-Gly-Leu-Me...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C60H100N18O15S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-94-5)70-47(81)33-69-56(89)48(60(3,4)95(6,92)93)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
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Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030163
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-(2S,3S)Ing-Flg-Leu-Met...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2ccccc12)C1c2ccccc2-c2ccccc12)C(N)=O
Show InChI InChI=1S/C71H102N18O13S/c1-39(2)37-52(64(96)82-48(61(76)93)31-36-103-3)81-57(92)38-80-67(99)60(58-44-19-8-6-17-42(44)43-18-7-9-20-45(43)58)87-68(100)59(46-26-25-40-15-4-5-16-41(40)46)86-63(95)50(28-30-56(75)91)83-62(94)49(27-29-55(74)90)84-65(97)54-24-14-35-89(54)70(102)51(22-10-11-32-72)85-66(98)53-23-13-34-88(53)69(101)47(73)21-12-33-79-71(77)78/h4-9,15-20,39,46-54,58-60H,10-14,21-38,72-73H2,1-3H3,(H2,74,90)(H2,75,91)(H2,76,93)(H,80,99)(H,81,92)(H,82,96)(H,83,94)(H,84,97)(H,85,98)(H,86,95)(H,87,100)(H4,77,78,79)/t46?,47-,48+,49-,50-,51-,52-,53-,54-,59-,60-/m0/s1
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Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030170
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Met-Gly-Leu-Met | CHEM...)
Show SMILES CSCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C60H100N18O13S2/c1-35(2)32-43(54(86)71-38(50(65)82)25-31-93-4)70-49(81)34-69-51(83)39(18-13-30-92-3)72-55(87)44(33-36-14-6-5-7-15-36)76-53(85)40(21-23-47(63)79)73-52(84)41(22-24-48(64)80)74-56(88)46-20-12-29-78(46)59(91)42(17-8-9-26-61)75-57(89)45-19-11-28-77(45)58(90)37(62)16-10-27-68-60(66)67/h5-7,14-15,35,37-46H,8-13,16-34,61-62H2,1-4H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,83)(H,70,81)(H,71,86)(H,72,87)(H,73,84)(H,74,88)(H,75,89)(H,76,85)(H4,66,67,68)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030154
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2cc3ccccc3cc12)C(N)=O
Show InChI InChI=1S/C69H102N18O13S/c1-39(2)34-51(63(95)80-47(59(74)91)28-33-101-3)79-57(90)38-78-60(92)52(35-40-14-5-4-6-15-40)84-66(98)58(44-23-22-43-36-41-16-7-8-17-42(41)37-45(43)44)85-62(94)49(25-27-56(73)89)81-61(93)48(24-26-55(72)88)82-64(96)54-21-13-32-87(54)68(100)50(19-9-10-29-70)83-65(97)53-20-12-31-86(53)67(99)46(71)18-11-30-77-69(75)76/h4-8,14-17,36-37,39,44,46-54,58H,9-13,18-35,38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t44?,46-,47+,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50050649
PNG
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O
Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


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


(Rattus norvegicus)
BDBM50030157
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030165
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Tic-Phe-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C64H98N18O13S/c1-37(2)32-46(57(89)75-42(54(69)86)26-31-96-3)74-53(85)35-73-55(87)47(33-38-14-5-4-6-15-38)79-60(92)50-34-39-16-7-8-17-40(39)36-82(50)63(95)45(23-25-52(68)84)77-56(88)43(22-24-51(67)83)76-58(90)49-21-13-30-81(49)62(94)44(19-9-10-27-65)78-59(91)48-20-12-29-80(48)61(93)41(66)18-11-28-72-64(70)71/h4-8,14-17,37,41-50H,9-13,18-36,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,89)(H,76,90)(H,77,88)(H,78,91)(H,79,92)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50407163
PNG
(CHEMBL2114442)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H]1CCc2ccccc12)C(N)=O
Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(59(91)76-43(55(70)87)28-33-97-3)75-53(86)36-74-56(88)48(35-38-14-5-4-6-15-38)80-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-58(90)45(25-27-52(69)85)77-57(89)44(24-26-51(68)84)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,88)(H,75,86)(H,76,91)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,90)(H4,71,72,73)/t41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,54+/m1/s1
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PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50407162
PNG
(CHEMBL2115375)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@H]1CCc2ccccc12)C(N)=O
Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(59(91)76-43(55(70)87)28-33-97-3)75-53(86)36-74-56(88)48(35-38-14-5-4-6-15-38)80-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-58(90)45(25-27-52(69)85)77-57(89)44(24-26-51(68)84)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,88)(H,75,86)(H,76,91)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,90)(H4,71,72,73)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,54-/m0/s1
MMDB

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PC cid
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UniChem

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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50030160
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Gly-Leu-Met | CHEM...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C69H102N18O13S/c1-41(2)38-50(62(94)80-46(59(74)91)32-37-101-3)79-56(90)40-78-66(98)58(57(43-20-9-5-10-21-43)44-22-11-6-12-23-44)85-63(95)51(39-42-18-7-4-8-19-42)84-61(93)47(28-30-54(72)88)81-60(92)48(29-31-55(73)89)82-64(96)53-27-17-36-87(53)68(100)49(25-13-14-33-70)83-65(97)52-26-16-35-86(52)67(99)45(71)24-15-34-77-69(75)76/h4-12,18-23,41,45-53,57-58H,13-17,24-40,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,98)(H,79,90)(H,80,94)(H,81,92)(H,82,96)(H,83,97)(H,84,93)(H,85,95)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1
MMDB

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UniProtKB/SwissProt

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PC cid
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UniChem

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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
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