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Compile Data Set for Download or QSAR

Found 35 hits of ic50 data for polymerid = 49000791,49000792,49000793,49000795,50006859   
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


(GUINEA PIG)
BDBM50403793
PNG
(CHEMBL2115415)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@@]3=O)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
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


(GUINEA PIG)
BDBM50090485
PNG
(CHEMBL295615 | spiro[(2-hydroxy)indane-1,40-piperi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)[C@@H](O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35-/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
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


(GUINEA PIG)
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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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


(GUINEA PIG)
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 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
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 9n/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


(GUINEA PIG)
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 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-[MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.


Bioorg Med Chem Lett 6: 165-166 (1996)


Article DOI: 10.1016/0960-894X(95)00582-E
BindingDB Entry DOI: 10.7270/Q2V9882Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50403790
PNG
(CHEMBL2114963)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@]3=O)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45+/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
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 12n/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 [125I]-[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


(GUINEA PIG)
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 14n/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]-Neurokini...


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


(GUINEA PIG)
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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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


(GUINEA PIG)
BDBM50282774
PNG
(CHEMBL295301 | {(S)-1-[(R)-1-(8-Carbamoyl-octylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O
Show InChI InChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)37-33(4,24-26-19-13-10-14-20-26)30(40)36-27(23-25-17-11-9-12-18-25)29(39)35-22-16-8-6-5-7-15-21-28(34)38/h9-14,17-20,27H,5-8,15-16,21-24H2,1-4H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,41)/t27-,33+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50090487
PNG
(CHEMBL298247 | spiro[(2-hydroxy)indane-1,40-piperi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)[C@H](O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex


Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50282782
PNG
(CHEMBL297327 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)
Show SMILES CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO
Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)35-32(4,24-26-19-13-10-14-20-26)29(38)34-27(23-25-17-11-9-12-18-25)28(37)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,37)(H,34,38)(H,35,39)/t27-,32+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050642
PNG
(CHEMBL296014 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO
Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t27-,32+/m0/s1
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n/an/a 22n/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


(GUINEA PIG)
BDBM50071484
PNG
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
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n/an/a 208n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex


Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283257
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
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(C)=O)C(N)=O
Show InChI InChI=1S/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 276n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |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 320n/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50403791
PNG
(CHEMBL2114965)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@](CCN2CCC3(CC2)c2ccccc2C[S@@]3=O)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45+/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283253
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
Show SMILES CCCCC[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(C)=O)C(N)=O
Show InChI InChI=1S/C45H66N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h7-8,10-17,27,31-36H,5-6,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 533n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50403792
PNG
(CHEMBL2115416)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@](CCN2CCC3(CC2)c2ccccc2C[S@]3=O)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
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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n/an/a 717n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-[MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.


Bioorg Med Chem Lett 6: 165-166 (1996)


Article DOI: 10.1016/0960-894X(95)00582-E
BindingDB Entry DOI: 10.7270/Q2V9882Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283250
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
Show SMILES C\C=C\CC[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(C)=O)C(N)=O
Show InChI InChI=1S/C45H64N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h5-8,10-17,27,31-36H,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/b6-5+/t31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 882n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50090484
PNG
(CHEMBL46795 | spiro[(2-hydroxy)indane-1,40-piperid...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@](CCN2CCC3(CC2)[C@H](O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50090482
PNG
(CHEMBL295785 | spiro[(2-hydroxy)indane-1,40-piperi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@](CCN2CCC3(CC2)[C@@H](O)Cc2ccccc32)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 3 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)


BindingDB Entry DOI: 10.7270/Q2QZ297D
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283252
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carba...)
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](N)CCC(N)=O)C(N)=O
Show InChI InChI=1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50050675
PNG
(CHEMBL33650 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)26-19(15-17-12-8-5-9-13-17)21(28)25-18(20(24)27)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H2,24,27)(H,25,28)(H,26,29)/t18-,19-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-[MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.


Bioorg Med Chem Lett 6: 165-166 (1996)


Article DOI: 10.1016/0960-894X(95)00582-E
BindingDB Entry DOI: 10.7270/Q2V9882Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283255
PNG
((S)-2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-penta...)
Show SMILES C\C=C\CC[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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C43H59N9O9/c1-4-5-8-17-29(38(45)56)49-42(60)32(22-26(2)3)48-37(55)25-46-39(57)33(23-27-13-9-6-10-14-27)51-43(61)34(24-28-15-11-7-12-16-28)52-41(59)31(18-20-35(44)53)50-40(58)30-19-21-36(54)47-30/h4-7,9-16,26,29-34H,8,17-25H2,1-3H3,(H2,44,53)(H2,45,56)(H,46,57)(H,47,54)(H,48,55)(H,49,60)(H,50,58)(H,51,61)(H,52,59)/b5-4+/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 1.88E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex


Bioorg Med Chem Lett 4: 2263-2266 (1994)


Article DOI: 10.1016/0960-894X(94)85022-4
BindingDB Entry DOI: 10.7270/Q2959HHG
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50287925
PNG
(2,4-Dibenzyl-morpholin-3-one | CHEMBL441040)
Show SMILES O=C1C(Cc2ccccc2)OCCN1Cc1ccccc1
Show InChI InChI=1S/C18H19NO2/c20-18-17(13-15-7-3-1-4-8-15)21-12-11-19(18)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2
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n/an/a 4.09E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-[MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.


Bioorg Med Chem Lett 6: 165-166 (1996)


Article DOI: 10.1016/0960-894X(95)00582-E
BindingDB Entry DOI: 10.7270/Q2V9882Q
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283966
PNG
((S)-1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-o...)
Show SMILES OC1CCN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H24N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,21-22,24H,10-12,14-15H2/t18-,21?/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]-Senktide as radioligand; Value ranges from 8.2-9.4 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283960
PNG
(1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-one |...)
Show SMILES O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H22N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,22H,10-12,14-15H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]-Senktide as radioligand; Value ranges from 5.8-14u M


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex


Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortex [125I]-BH-eledoisin as radioligand


J Med Chem 35: 2591-600 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1JJF
More data for this
Ligand-Target Pair