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57 similar compounds to monomer 50001604

Compile data set for download or QSAR
Wt: 852.0
BDBM50283254
Purchase
Wt: 781.9
BDBM50452295
Wt: 612.7
BDBM50016443
Wt: 740.9
BDBM50016448
Wt: 654.8
BDBM50016445
Wt: 869.0
BDBM50016446
Wt: 751.9
BDBM50001595
Wt: 763.9
BDBM50001598
Wt: 763.9
BDBM50001599
Wt: 737.9
BDBM50001601
Wt: 763.9
BDBM50001602
Wt: 778.0
BDBM50001603
Wt: 763.9
BDBM50001605
Wt: 663.8
BDBM50001606
Wt: 751.9
BDBM50001607
Displayed 1 to 15 (of 57 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50283254,50452295,50016443,50016448,50016445,50016446,50001595,50001598,50001599,50001601,50001602,50001603,50001605,50001606,50001607   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50016446
PNG
(2-Amino-pentanedioic acid 5-amide 1-[(3-carbamoyl-...)
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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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50016448
PNG
(2-Amino-pentanedioic acid 5-amide 1-({1-[1-({[1-(1...)
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](N)CCC(N)=O)C(N)=O
Show InChI InChI=1S/C36H52N8O7S/c1-22(2)18-27(35(50)42-26(32(39)47)16-17-52-3)41-31(46)21-40-34(49)28(19-23-10-6-4-7-11-23)44-36(51)29(20-24-12-8-5-9-13-24)43-33(48)25(37)14-15-30(38)45/h4-13,22,25-29H,14-21,37H2,1-3H3,(H2,38,45)(H2,39,47)(H,40,49)(H,41,46)(H,42,50)(H,43,48)(H,44,51)/t25-,26+,27-,28-,29-/m0/s1
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450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50016445
PNG
(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-phenyl...)
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(C)=O)C(N)=O
Show InChI InChI=1S/C33H46N6O6S/c1-21(2)17-26(32(44)38-25(30(34)42)15-16-46-4)37-29(41)20-35-31(43)27(18-23-11-7-5-8-12-23)39-33(45)28(36-22(3)40)19-24-13-9-6-10-14-24/h5-14,21,25-28H,15-20H2,1-4H3,(H2,34,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,39,45)/t25-,26+,27+,28+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50016443
PNG
(2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)/t23-,24+,25-,26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50016445
PNG
(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-phenyl...)
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(C)=O)C(N)=O
Show InChI InChI=1S/C33H46N6O6S/c1-21(2)17-26(32(44)38-25(30(34)42)15-16-46-4)37-29(41)20-35-31(43)27(18-23-11-7-5-8-12-23)39-33(45)28(36-22(3)40)19-24-13-9-6-10-14-24/h5-14,21,25-28H,15-20H2,1-4H3,(H2,34,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,39,45)/t25-,26+,27+,28+/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50016443
PNG
(2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)/t23-,24+,25-,26-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes


J Med Chem 30: 1529-32 (1987)


Article DOI: 10.1021/jm00391a046
BindingDB Entry DOI: 10.7270/Q24M954B
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001607
PNG
(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 830n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001598
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33-,35-/m1/s1
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n/an/an/an/a 5.23E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001599
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33+,35-/m1/s1
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n/an/an/an/a 545n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001601
PNG
(2-(3-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-32(37(50)42-28(34(40)47)18-21-52-3)45-20-17-29(38(45)51)43-36(49)31(24-27-14-8-5-9-15-27)44-35(48)30(23-26-12-6-4-7-13-26)41-33(46)16-10-11-19-39/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,50)(H,43,49)(H,44,48)/t28-,29?,30-,31-,32-/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001605
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/an/a 3.77E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001595
PNG
(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001599
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33+,35-/m1/s1
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n/an/an/an/a>1.80E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001595
PNG
(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001601
PNG
(2-(3-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-32(37(50)42-28(34(40)47)18-21-52-3)45-20-17-29(38(45)51)43-36(49)31(24-27-14-8-5-9-15-27)44-35(48)30(23-26-12-6-4-7-13-26)41-33(46)16-10-11-19-39/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,50)(H,43,49)(H,44,48)/t28-,29?,30-,31-,32-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001598
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33-,35-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001598
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33-,35-/m1/s1
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n/an/an/an/a>4.70E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001602
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/m0/s1
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n/an/an/an/a 566n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001605
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/an/a>8.22E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001603
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O
Show InChI InChI=1S/C41H59N7O6S/c1-28(2)25-34(38(52)45-31(36(43)50)18-24-55-3)47-23-20-41(40(47)54)19-12-22-48(41)39(53)33(27-30-15-8-5-9-16-30)46-37(51)32(26-29-13-6-4-7-14-29)44-35(49)17-10-11-21-42/h4-9,13-16,28,31-34H,10-12,17-27,42H2,1-3H3,(H2,43,50)(H,44,49)(H,45,52)(H,46,51)/t31-,32-,33-,34-,41+/m0/s1
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n/an/an/an/a 1.39E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001606
PNG
(2-(2-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
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)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C32H53N7O6S/c1-20(2)17-24(30(43)38-23(29(34)42)14-16-46-5)37-27(41)19-35-32(45)28(21(3)4)39-31(44)25(18-22-11-7-6-8-12-22)36-26(40)13-9-10-15-33/h6-8,11-12,20-21,23-25,28H,9-10,13-19,33H2,1-5H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,41)(H,38,43)(H,39,44)/t23-,24-,25-,28-/m0/s1
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n/an/an/an/a 94n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001599
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33+,35-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001605
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001602
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001601
PNG
(2-(3-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-32(37(50)42-28(34(40)47)18-21-52-3)45-20-17-29(38(45)51)43-36(49)31(24-27-14-8-5-9-15-27)44-35(48)30(23-26-12-6-4-7-13-26)41-33(46)16-10-11-19-39/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,50)(H,43,49)(H,44,48)/t28-,29?,30-,31-,32-/m0/s1
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n/an/an/an/a 1.06E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001607
PNG
(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001607
PNG
(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 92n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001595
PNG
(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propiony...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001606
PNG
(2-(2-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
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)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C32H53N7O6S/c1-20(2)17-24(30(43)38-23(29(34)42)14-16-46-5)37-27(41)19-35-32(45)28(21(3)4)39-31(44)25(18-22-11-7-6-8-12-22)36-26(40)13-9-10-15-33/h6-8,11-12,20-21,23-25,28H,9-10,13-19,33H2,1-5H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,41)(H,38,43)(H,39,44)/t23-,24-,25-,28-/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001602
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+,35-/m0/s1
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n/an/an/an/a 3.73E+3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001603
PNG
(2-(1-{2-[2-(5-Amino-pentanoylamino)-3-phenyl-propi...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O
Show InChI InChI=1S/C41H59N7O6S/c1-28(2)25-34(38(52)45-31(36(43)50)18-24-55-3)47-23-20-41(40(47)54)19-12-22-48(41)39(53)33(27-30-15-8-5-9-16-30)46-37(51)32(26-29-13-6-4-7-14-29)44-35(49)17-10-11-21-42/h4-9,13-16,28,31-34H,10-12,17-27,42H2,1-3H3,(H2,43,50)(H,44,49)(H,45,52)(H,46,51)/t31-,32-,33-,34-,41+/m0/s1
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n/an/an/an/a 307n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50452295
PNG
(CHEMBL2371799)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C39H55N7O8S/c1-24(2)21-29(36(51)42-28(34(41)49)18-20-55-3)44-38(53)32-15-10-19-46(32)39(54)31(23-26-13-8-5-9-14-26)45-37(52)30(22-25-11-6-4-7-12-25)43-35(50)27(40)16-17-33(47)48/h4-9,11-14,24,27-32H,10,15-23,40H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against neuronal receptor in guinea pig ileum


J Med Chem 29: 1284-8 (1987)


Article DOI: 10.1021/jm00157a029
BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50283254
PNG
((S)-2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-penta...)
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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C41H57N9O9S/c1-24(2)20-30(40(58)47-27(36(43)54)18-19-60-3)46-35(53)23-44-37(55)31(21-25-10-6-4-7-11-25)49-41(59)32(22-26-12-8-5-9-13-26)50-39(57)29(14-16-33(42)51)48-38(56)28-15-17-34(52)45-28/h4-13,24,27-32H,14-23H2,1-3H3,(H2,42,51)(H2,43,54)(H,44,55)(H,45,52)(H,46,53)(H,47,58)(H,48,56)(H,49,59)(H,50,57)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Bolton-Hunter Substance P to NK-1 receptors in the guinea pig cerebral...


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
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50452295
PNG
(CHEMBL2371799)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C39H55N7O8S/c1-24(2)21-29(36(51)42-28(34(41)49)18-20-55-3)44-38(53)32-15-10-19-46(32)39(54)31(23-26-13-8-5-9-14-26)45-37(52)30(22-25-11-6-4-7-12-25)43-35(50)27(40)16-17-33(47)48/h4-9,11-14,24,27-32H,10,15-23,40H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against muscular receptor in guinea pig ileum


J Med Chem 29: 1284-8 (1987)


Article DOI: 10.1021/jm00157a029
BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair