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Compile Data Set for Download or QSAR

Found 51 hits of ec50 data for polymerid = 49000788,50000863,5459   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TACR2


(mouse)
BDBM50007830
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
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)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007827
PNG
(2-(3-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
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)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C37H53N7O6S/c1-24(2)21-31(36(49)41-27(33(39)46)17-20-51-3)44-19-16-28(37(44)50)42-35(48)30(23-26-13-8-5-9-14-26)43-34(47)29(40-32(45)15-10-18-38)22-25-11-6-4-7-12-25/h4-9,11-14,24,27-31H,10,15-23,38H2,1-3H3,(H2,39,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)/t27-,28?,29-,30-,31+/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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 0.550n/an/an/an/a



UMR UdS/CNRS 7200

Curated by ChEMBL


Assay Description
Allosteric modulation of rat NK2 receptor expressed in HEK293 cells assessed as increase in intracellular calcium level by spectrofluorimetry


J Med Chem 52: 5999-6011 (2009)

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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n/an/an/an/a 1n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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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n/an/an/an/a 1n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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.


J Med Chem 35: 4195-204 (1992)

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.


J Med Chem 35: 4195-204 (1992)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007825
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-23(2)20-28(35(48)41-27(32(38)45)17-19-50-4)42-33(46)24(3)39-34(47)30(22-26-14-9-6-10-15-26)43-36(49)29(40-31(44)16-11-18-37)21-25-12-7-5-8-13-25/h5-10,12-15,23-24,27-30H,11,16-22,37H2,1-4H3,(H2,38,45)(H,39,47)(H,40,44)(H,41,48)(H,42,46)(H,43,49)/t24-,27+,28+,29+,30+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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.


J Med Chem 35: 4195-204 (1992)

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.


J Med Chem 35: 4195-204 (1992)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007831
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
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)CCCN)C(N)=O
Show InChI InChI=1S/C35H51N7O6S/c1-23(2)19-27(34(47)41-26(32(37)45)16-18-49-3)40-31(44)22-38-33(46)28(20-24-11-6-4-7-12-24)42-35(48)29(39-30(43)15-10-17-36)21-25-13-8-5-9-14-25/h4-9,11-14,23,26-29H,10,15-22,36H2,1-3H3,(H2,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H,42,48)/t26-,27-,28-,29-/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007829
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33+,40?/m0/s1
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n/an/an/an/a 8.30n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007826
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-23(2)20-28(35(48)41-27(32(38)45)17-19-50-4)42-33(46)24(3)39-34(47)30(22-26-14-9-6-10-15-26)43-36(49)29(40-31(44)16-11-18-37)21-25-12-7-5-8-13-25/h5-10,12-15,23-24,27-30H,11,16-22,37H2,1-4H3,(H2,38,45)(H,39,47)(H,40,44)(H,41,48)(H,42,46)(H,43,49)/t24-,27+,28-,29-,30-/m0/s1
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n/an/an/an/a 11.1n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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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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)

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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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)

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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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)

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.


J Med Chem 35: 4195-204 (1992)

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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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)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007832
PNG
(2-(3-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
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)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C37H53N7O6S/c1-24(2)21-31(36(49)41-27(33(39)46)17-20-51-3)44-19-16-28(37(44)50)42-35(48)30(23-26-13-8-5-9-14-26)43-34(47)29(40-32(45)15-10-18-38)22-25-11-6-4-7-12-25/h4-9,11-14,24,27-31H,10,15-23,38H2,1-3H3,(H2,39,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)/t27-,28?,29-,30-,31-/m0/s1
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n/an/an/an/a 59.7n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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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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)

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 64.8n/an/an/an/a



UMR UdS/CNRS 7200

Curated by ChEMBL


Assay Description
Allosteric modulation of rat NK2 receptor expressed in HEK293 cells assessed as cAMP production by radioimmunoassay


J Med Chem 52: 5999-6011 (2009)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50259674
PNG
((S)-3-amino-4-((S)-1-((R)-1-((S)-1-((R)-1-((R)-1-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C57H68N12O10/c1-31(2)50(69-56(78)48(26-35-30-63-43-16-8-5-13-39(35)43)67-53(75)45(23-32-18-20-36(70)21-19-32)65-52(74)40(59)27-49(71)72)57(79)68-47(25-34-29-62-42-15-7-4-12-38(34)42)55(77)66-46(24-33-28-61-41-14-6-3-11-37(33)41)54(76)64-44(51(60)73)17-9-10-22-58/h3-8,11-16,18-21,28-31,40,44-48,50,61-63,70H,9-10,17,22-27,58-59H2,1-2H3,(H2,60,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,68,79)(H,69,78)(H,71,72)/t40-,44-,45-,46+,47+,48+,50-/m0/s1
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n/an/an/an/a 78.1n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in CHO cells


J Nat Prod 69: 432-5 (2006)

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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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)

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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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)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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.


J Med Chem 35: 4195-204 (1992)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007823
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
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)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29+,30+,31+,32+/m1/s1
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Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007824
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
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)CCCN)C(N)=O
Show InChI InChI=1S/C35H51N7O6S/c1-23(2)19-27(34(47)41-26(32(37)45)16-18-49-3)40-31(44)22-38-33(46)28(20-24-11-6-4-7-12-24)42-35(48)29(39-30(43)15-10-17-36)21-25-13-8-5-9-14-25/h4-9,11-14,23,26-29H,10,15-22,36H2,1-3H3,(H2,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H,42,48)/t26-,27+,28+,29+/m1/s1
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n/an/an/an/a>300n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007828
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,40?/m0/s1
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n/an/an/an/a>500n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

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)

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.


J Med Chem 35: 4195-204 (1992)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>1.60E+4n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity was measured at neurokinin-2 receptor in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052515
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33-,34-,35+,36-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052520
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C47H71N11O8S/c1-31(2)27-36(44(64)55-34(42(48)62)22-26-67-3)54-41(61)30-58-25-13-5-4-12-23-51-39(59)20-21-40(60)53-35(19-14-24-52-47(49)50)43(63)56-37(28-32-15-8-6-9-16-32)45(65)57-38(46(58)66)29-33-17-10-7-11-18-33/h6-11,15-18,31,34-38H,4-5,12-14,19-30H2,1-3H3,(H2,48,62)(H,51,59)(H,53,60)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H4,49,50,52)/t34-,35-,36-,37+,38-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052518
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C43H63N11O8S/c1-27(2)23-32(40(60)51-30(38(44)58)18-22-63-3)50-37(57)26-54-21-20-47-35(55)16-17-36(56)49-31(15-10-19-48-43(45)46)39(59)52-33(24-28-11-6-4-7-12-28)41(61)53-34(42(54)62)25-29-13-8-5-9-14-29/h4-9,11-14,27,30-34H,10,15-26H2,1-3H3,(H2,44,58)(H,47,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,48)/t30-,31-,32-,33+,34-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052525
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34-,35-,36+,37-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50030211
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34+,35-,36-,37+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor


J Med Chem 37: 2145-52 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50030214
PNG
((S)-2-{2-[(6R,9S,12R)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor


J Med Chem 37: 2145-52 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50030212
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor


J Med Chem 37: 2145-52 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052522
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052516
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C48H73N11O8S/c1-32(2)28-37(45(65)56-35(43(49)63)23-27-68-3)55-42(62)31-59-26-13-5-4-12-24-52-40(60)21-14-22-41(61)54-36(20-15-25-53-48(50)51)44(64)57-38(29-33-16-8-6-9-17-33)46(66)58-39(47(59)67)30-34-18-10-7-11-19-34/h6-11,16-19,32,35-39H,4-5,12-15,20-31H2,1-3H3,(H2,49,63)(H,52,60)(H,54,61)(H,55,62)(H,56,65)(H,57,64)(H,58,66)(H4,50,51,53)/t35-,36-,37-,38+,39-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50030213
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33+,34-,35-,36+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor


J Med Chem 37: 2145-52 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052517
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052521
PNG
((S)-2-{2-[{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guani...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(CCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H65N11O7S/c1-27(2)23-33(39(58)50-31(37(44)56)18-22-61-4)49-36(55)26-53(21-12-19-43)41(60)35(25-30-15-9-6-10-16-30)52-40(59)34(24-29-13-7-5-8-14-29)51-38(57)32(48-28(3)54)17-11-20-47-42(45)46/h5-10,13-16,27,31-35H,11-12,17-26,43H2,1-4H3,(H2,44,56)(H,48,54)(H,49,55)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,47)/t31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50052519
PNG
(CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...)
Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens(RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
TACR2


(mouse)
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/an/an/a>2.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)

More data for this
Ligand-Target Pair
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