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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'hodgson' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P 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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TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
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 0.120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Neuromedin-K receptor


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



TBA

Curated by ChEMBL


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


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


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


(GUINEA PIG)
BDBM50280461
PNG
(((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:10.10,17.20,(8.22,1.05,;9.53,1.84,;10.88,1.07,;12.19,1.84,;13.54,1.09,;13.54,-.45,;12.21,-1.24,;10.88,-.45,;9.55,-1.24,;9.57,-2.78,;8.24,-3.55,;6.89,-2.78,;5.56,-3.55,;5.56,-5.09,;6.82,-5.83,;7.61,-4.5,;6.12,-4.11,;8.24,-5.09,;9.55,-5.89,;11.04,-5.49,;12.13,-6.58,;13.61,-6.17,;14.01,-4.67,;12.91,-3.59,;11.42,-4,;9.53,-7.43,;8.17,-8.17,;8.15,-9.71,;9.48,-10.51,;10.83,-9.75,;10.85,-8.21,)|
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-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
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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Cambridge University Forvie Site

Curated by ChEMBL


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


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
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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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
Substance-P receptor


(GUINEA PIG)
BDBM50001447
PNG
(CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Substance-K receptor


(HAMSTER)
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 3.60n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA


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)
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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TBA

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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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TBA

Curated by ChEMBL


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


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


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


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



Cambridge University Forvie Site

Curated by ChEMBL


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


J Med Chem 39: 1664-75 (1996)


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


(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 4n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


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


J Med Chem 39: 1664-75 (1996)


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


(GUINEA PIG)
BDBM50280458
PNG
((2-Chloro-benzyl)-[(2R,3R)-2-(2,2-diphenyl-ethyl)-...)
Show SMILES Clc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:9.9,16.19,(9.53,1.84,;10.88,1.07,;12.18,1.84,;13.54,1.09,;13.54,-.45,;12.21,-1.24,;10.88,-.45,;9.55,-1.24,;9.57,-2.78,;8.24,-3.55,;6.89,-2.78,;5.56,-3.55,;5.56,-5.09,;6.82,-5.83,;7.61,-4.5,;6.12,-4.11,;8.24,-5.09,;9.55,-5.89,;11.04,-5.49,;12.13,-6.58,;13.61,-6.17,;14,-4.67,;12.91,-3.59,;11.41,-4,;9.53,-7.43,;8.17,-8.17,;8.15,-9.71,;9.48,-10.5,;10.83,-9.75,;10.85,-8.21,)|
Show InChI InChI=1S/C27H29ClN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
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)
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


(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 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


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
Substance-P receptor


(GUINEA PIG)
BDBM50002653
PNG
(((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:17.20,wD:10.10,(24.76,-4.86,;23.43,-4.09,;23.45,-2.55,;24.78,-1.78,;24.79,-.24,;23.43,.53,;22.12,-.24,;22.12,-1.78,;20.77,-2.54,;20.77,-4.09,;19.44,-4.85,;18.11,-4.08,;16.78,-4.85,;16.78,-6.39,;18.11,-7.16,;17.53,-6.17,;18.88,-5.41,;19.44,-6.39,;20.77,-7.17,;20.77,-8.71,;22.1,-9.47,;22.1,-11.01,;20.77,-11.78,;19.44,-11.01,;19.44,-9.47,;22.31,-7.16,;23.08,-8.5,;24.62,-8.5,;25.39,-7.17,;24.62,-5.83,;23.08,-5.84,)|
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 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


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


(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


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
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)
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
Substance-P 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 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
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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n/an/a 14n/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)
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


(Homo sapiens (Human))
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 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


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


(Homo sapiens (Human))
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 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


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


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


(Homo sapiens (Human))
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 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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 16n/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


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
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 16n/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


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
BDBM50050676
PNG
(CHEMBL47822 | {(S)-1-[(R)-1-Methyl-1-(8-methylcarb...)
Show SMILES CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H50N4O5/c1-33(2,3)43-32(42)37-28(24-26-18-12-10-13-19-26)30(40)38-34(4,25-27-20-14-11-15-21-27)31(41)36-23-17-9-7-6-8-16-22-29(39)35-5/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,35,39)(H,36,41)(H,37,42)(H,38,40)/t28-,34+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
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 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


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


(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 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


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


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


(Homo sapiens (Human))
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)
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


(Homo sapiens (Human))
BDBM50050662
PNG
(CHEMBL298104 | {(S)-1-[(R)-1-(8-Methanesulfonyl-oc...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O
Show InChI InChI=1S/C33H49N3O6S/c1-32(2,3)42-31(39)35-28(24-26-18-12-10-13-19-26)29(37)36-33(4,25-27-20-14-11-15-21-27)30(38)34-22-16-8-6-7-9-17-23-43(5,40)41/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,34,38)(H,35,39)(H,36,37)/t28-,33+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
BDBM50282775
PNG
((S)-2-[2-((S)-2-{(S)-2-[2-(4-Hydroxy-phenyl)-acety...)
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)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C39H50N6O7S/c1-25(2)20-31(38(51)44-30(36(40)49)18-19-53-3)43-35(48)24-41-37(50)32(21-26-10-6-4-7-11-26)45-39(52)33(22-27-12-8-5-9-13-27)42-34(47)23-28-14-16-29(46)17-15-28/h4-17,25,30-33,46H,18-24H2,1-3H3,(H2,40,49)(H,41,50)(H,42,47)(H,43,48)(H,44,51)(H,45,52)/t30-,31-,32-,33-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


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


(Homo sapiens (Human))
BDBM50050651
PNG
(CHEMBL47586 | {(S)-1-[(R)-1-(8-Dimethylcarbamoyl-o...)
Show SMILES CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H52N4O5/c1-34(2,3)44-33(43)37-29(25-27-19-13-11-14-20-27)31(41)38-35(4,26-28-21-15-12-16-22-28)32(42)36-24-18-10-8-7-9-17-23-30(40)39(5)6/h11-16,19-22,29H,7-10,17-18,23-26H2,1-6H3,(H,36,42)(H,37,43)(H,38,41)/t29-,35+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


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


(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


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
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50001447
PNG
(CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050679
PNG
(CHEMBL47035 | {(S)-1-[(R)-1-(7-Methanesulfonylamin...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O
Show InChI InChI=1S/C32H48N4O6S/c1-31(2,3)42-30(39)35-27(23-25-17-11-9-12-18-25)28(37)36-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-6-8-16-22-34-43(5,40)41/h9-14,17-20,27,34H,6-8,15-16,21-24H2,1-5H3,(H,33,38)(H,35,39)(H,36,37)/t27-,32+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


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
Substance-P receptor


(GUINEA PIG)
BDBM50280464
PNG
(CHEMBL345711 | [(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-a...)
Show SMILES FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:12.12,19.22,(-4.15,4.82,;-2.93,4.12,;-3.2,5.71,;-4.43,3.54,;-1.59,3.35,;-.27,4.12,;1.08,3.35,;1.08,1.81,;-.25,1.04,;-1.58,1.81,;-2.91,1.04,;-2.89,-.5,;-4.22,-1.27,;-5.57,-.5,;-6.9,-1.29,;-6.9,-2.83,;-5.64,-3.55,;-4.85,-2.22,;-6.34,-1.83,;-4.22,-2.83,;-2.91,-3.62,;-1.42,-3.22,;-1.04,-1.73,;.44,-1.31,;1.54,-2.41,;1.15,-3.9,;-.34,-4.3,;-2.93,-5.16,;-4.29,-5.9,;-4.31,-7.44,;-2.99,-8.24,;-1.63,-7.47,;-1.63,-5.93,)|
Show InChI InChI=1S/C28H29F3N2/c29-28(30,31)24-14-8-7-13-23(24)19-32-26-22-15-17-33(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,32H,15-19H2/t26-,27-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)
BDBM50280466
PNG
(CHEMBL152239 | [(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-a...)
Show SMILES Fc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:9.9,16.19,(-2.93,4.12,;-1.59,3.35,;-.27,4.12,;1.08,3.35,;1.08,1.81,;-.25,1.04,;-1.58,1.81,;-2.91,1.04,;-2.89,-.5,;-4.22,-1.27,;-5.57,-.5,;-6.9,-1.29,;-6.9,-2.83,;-5.64,-3.55,;-4.85,-2.22,;-6.34,-1.83,;-4.22,-2.83,;-2.91,-3.62,;-2.93,-5.16,;-4.29,-5.9,;-4.31,-7.44,;-2.99,-8.24,;-1.63,-7.47,;-1.63,-5.93,;-1.42,-3.22,;-.34,-4.3,;1.15,-3.9,;1.54,-2.41,;.44,-1.31,;-1.04,-1.73,)|
Show InChI InChI=1S/C27H29FN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050664
PNG
(((R)-1-{(R)-1-[4-(4-Hydroxy-phenyl)-butylcarbamoyl...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCc1ccc(O)cc1
Show InChI InChI=1S/C34H43N3O5/c1-33(2,3)42-32(41)36-29(23-26-14-7-5-8-15-26)30(39)37-34(4,24-27-16-9-6-10-17-27)31(40)35-22-12-11-13-25-18-20-28(38)21-19-25/h5-10,14-21,29,38H,11-13,22-24H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/t29-,34-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
BDBM50050687
PNG
(CHEMBL296440 | {(S)-1-[(R)-1-(8-Carbamoyl-octylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O
Show InChI InChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)36-27(23-25-17-11-9-12-18-25)29(39)37-33(4,24-26-19-13-10-14-20-26)30(40)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,35,40)(H,36,41)(H,37,39)/t27-,33+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
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 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


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


(Homo sapiens (Human))
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 40n/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


J Med Chem 39: 1664-75 (1996)


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


(Homo sapiens (Human))
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 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


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


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


(Homo sapiens (Human))
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 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


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