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PubMed code 1331460

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
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
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001604
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](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-24(2)20-28(35(48)42-27(33(38)46)17-19-50-3)41-32(45)23-39-34(47)29(21-25-12-6-4-7-13-25)43-36(49)30(22-26-14-8-5-9-15-26)40-31(44)16-10-11-18-37/h4-9,12-15,24,27-30H,10-11,16-23,37H2,1-3H3,(H2,38,46)(H,39,47)(H,40,44)(H,41,45)(H,42,48)(H,43,49)/t27-,28-,29-,30-/m0/s1
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n/an/an/an/a 38n/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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001596
PNG
(3-(2-Acetylamino-6-amino-hexanoylamino)-N-{1-[1-(1...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C44H70N10O12S/c1-24(2)20-34(42(64)48-28(37(46)59)16-19-67-6)54-18-15-30(44(54)66)49-43(65)36(25(3)4)53-40(62)31(21-27-12-8-7-9-13-27)50-41(63)33(23-55)52-39(61)32(22-35(57)58)51-38(60)29(47-26(5)56)14-10-11-17-45/h7-9,12-13,24-25,28-34,36,55H,10-11,14-23,45H2,1-6H3,(H2,46,59)(H,47,56)(H,48,64)(H,49,65)(H,50,63)(H,51,60)(H,52,61)(H,53,62)(H,57,58)/t28-,29-,30?,31-,32-,33-,34-,36-/m0/s1
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n/an/an/an/a 44n/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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 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/an/an/a 68n/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.


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


(Rattus norvegicus)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
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n/an/an/an/a 870n/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.


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


(Rattus norvegicus)
BDBM50001592
PNG
(CHEMBL131923 | N-{1-[1-(1-{5-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C44H70N10O11S/c1-24(2)19-33(42(63)48-29(37(47)58)15-18-66-5)54-22-27-14-17-53(36(27)44(54)65)43(64)35(25(3)4)52-40(61)30(20-26-11-7-6-8-12-26)50-41(62)32(23-55)51-39(60)31(21-34(56)57)49-38(59)28(46)13-9-10-16-45/h6-8,11-12,24-25,27-33,35-36,55H,9-10,13-23,45-46H2,1-5H3,(H2,47,58)(H,48,63)(H,49,59)(H,50,62)(H,51,60)(H,52,61)(H,56,57)/t27?,28-,29-,30-,31-,32-,33-,35-,36?/m0/s1
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n/an/an/an/a 2.72E+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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001600
PNG
(CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C48H70N10O11S/c1-28(2)22-38(46(67)52-33(41(51)62)18-21-70-3)58-26-31-17-20-57(40(31)48(58)69)47(68)36(24-30-14-8-5-9-15-30)55-43(64)34(23-29-12-6-4-7-13-29)54-45(66)37(27-59)56-44(65)35(25-39(60)61)53-42(63)32(50)16-10-11-19-49/h4-9,12-15,28,31-38,40,59H,10-11,16-27,49-50H2,1-3H3,(H2,51,62)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)(H,60,61)/t31?,32-,33-,34-,35-,36-,37-,38-,40?/m0/s1
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Glaxo Group Research

Curated by ChEMBL


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


Citation and Details
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.


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


(Rattus norvegicus)
BDBM50001600
PNG
(CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C48H70N10O11S/c1-28(2)22-38(46(67)52-33(41(51)62)18-21-70-3)58-26-31-17-20-57(40(31)48(58)69)47(68)36(24-30-14-8-5-9-15-30)55-43(64)34(23-29-12-6-4-7-13-29)54-45(66)37(27-59)56-44(65)35(25-39(60)61)53-42(63)32(50)16-10-11-19-49/h4-9,12-15,28,31-38,40,59H,10-11,16-27,49-50H2,1-3H3,(H2,51,62)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)(H,60,61)/t31?,32-,33-,34-,35-,36-,37-,38-,40?/m0/s1
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n/an/an/an/a 2.63E+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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001592
PNG
(CHEMBL131923 | N-{1-[1-(1-{5-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C44H70N10O11S/c1-24(2)19-33(42(63)48-29(37(47)58)15-18-66-5)54-22-27-14-17-53(36(27)44(54)65)43(64)35(25(3)4)52-40(61)30(20-26-11-7-6-8-12-26)50-41(62)32(23-55)51-39(60)31(21-34(56)57)49-38(59)28(46)13-9-10-16-45/h6-8,11-12,24-25,27-33,35-36,55H,9-10,13-23,45-46H2,1-5H3,(H2,47,58)(H,48,63)(H,49,59)(H,50,62)(H,51,60)(H,52,61)(H,56,57)/t27?,28-,29-,30-,31-,32-,33-,35-,36?/m0/s1
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n/an/an/an/a 59n/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.


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


(Rattus norvegicus)
BDBM50001593
PNG
(CHEMBL131872 | N-{1-[1-(1-{1-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28?,29-,30-,31-,32-,34-/m0/s1
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n/an/an/an/a 1.18E+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.


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


(Rattus norvegicus)
BDBM50001604
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](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-24(2)20-28(35(48)42-27(33(38)46)17-19-50-3)41-32(45)23-39-34(47)29(21-25-12-6-4-7-13-25)43-36(49)30(22-26-14-8-5-9-15-26)40-31(44)16-10-11-18-37/h4-9,12-15,24,27-30H,10-11,16-23,37H2,1-3H3,(H2,38,46)(H,39,47)(H,40,44)(H,41,45)(H,42,48)(H,43,49)/t27-,28-,29-,30-/m0/s1
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n/an/an/an/a 1.13E+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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001593
PNG
(CHEMBL131872 | N-{1-[1-(1-{1-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28?,29-,30-,31-,32-,34-/m0/s1
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n/an/an/an/a 3.70n/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.


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


(Rattus norvegicus)
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 7.50E+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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
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n/an/an/an/a 61n/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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 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/an/an/a 14n/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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001592
PNG
(CHEMBL131923 | N-{1-[1-(1-{5-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C44H70N10O11S/c1-24(2)19-33(42(63)48-29(37(47)58)15-18-66-5)54-22-27-14-17-53(36(27)44(54)65)43(64)35(25(3)4)52-40(61)30(20-26-11-7-6-8-12-26)50-41(62)32(23-55)51-39(60)31(21-34(56)57)49-38(59)28(46)13-9-10-16-45/h6-8,11-12,24-25,27-33,35-36,55H,9-10,13-23,45-46H2,1-5H3,(H2,47,58)(H,48,63)(H,49,59)(H,50,62)(H,51,60)(H,52,61)(H,56,57)/t27?,28-,29-,30-,31-,32-,33-,35-,36?/m0/s1
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n/an/an/an/a 1.13E+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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001597
PNG
(CHEMBL134481 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 45n/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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001596
PNG
(3-(2-Acetylamino-6-amino-hexanoylamino)-N-{1-[1-(1...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C44H70N10O12S/c1-24(2)20-34(42(64)48-28(37(46)59)16-19-67-6)54-18-15-30(44(54)66)49-43(65)36(25(3)4)53-40(62)31(21-27-12-8-7-9-13-27)50-41(63)33(23-55)52-39(61)32(22-35(57)58)51-38(60)29(47-26(5)56)14-10-11-17-45/h7-9,12-13,24-25,28-34,36,55H,10-11,14-23,45H2,1-6H3,(H2,46,59)(H,47,56)(H,48,64)(H,49,65)(H,50,63)(H,51,60)(H,52,61)(H,53,62)(H,57,58)/t28-,29-,30?,31-,32-,33-,34-,36-/m0/s1
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n/an/an/an/a 1.30n/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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
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n/an/an/an/a 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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
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/an/an/a 1.70n/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.


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


(Rattus norvegicus)
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/an/an/a 563n/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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001604
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](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-24(2)20-28(35(48)42-27(33(38)46)17-19-50-3)41-32(45)23-39-34(47)29(21-25-12-6-4-7-13-25)43-36(49)30(22-26-14-8-5-9-15-26)40-31(44)16-10-11-18-37/h4-9,12-15,24,27-30H,10-11,16-23,37H2,1-3H3,(H2,38,46)(H,39,47)(H,40,44)(H,41,45)(H,42,48)(H,43,49)/t27-,28-,29-,30-/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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
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/an/an/a 27n/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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


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

Curated by ChEMBL


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


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


(Rattus norvegicus)
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/an/an/a 6.30n/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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001593
PNG
(CHEMBL131872 | N-{1-[1-(1-{1-[1-(1-Carbamoyl-3-met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O
Show InChI InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28?,29-,30-,31-,32-,34-/m0/s1
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n/an/an/an/a 4.24E+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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001600
PNG
(CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C48H70N10O11S/c1-28(2)22-38(46(67)52-33(41(51)62)18-21-70-3)58-26-31-17-20-57(40(31)48(58)69)47(68)36(24-30-14-8-5-9-15-30)55-43(64)34(23-29-12-6-4-7-13-29)54-45(66)37(27-59)56-44(65)35(25-39(60)61)53-42(63)32(50)16-10-11-19-49/h4-9,12-15,28,31-38,40,59H,10-11,16-27,49-50H2,1-3H3,(H2,51,62)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)(H,60,61)/t31?,32-,33-,34-,35-,36-,37-,38-,40?/m0/s1
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n/an/an/an/a 1.03E+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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 5.60n/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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


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


(Rattus norvegicus)
BDBM50001597
PNG
(CHEMBL134481 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 857n/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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001597
PNG
(CHEMBL134481 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 33n/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.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%