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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with Target = 'Neurokinin 2 receptor' AND taxid = 9986   
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
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50290461
PNG
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)
Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1
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5.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50290461
PNG
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)
Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1
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5.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50290462
PNG
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12
Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1
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5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50290462
PNG
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12
Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1
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5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407245
PNG
(CHEMBL421071)
Show SMILES CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C43H58N8O7/c1-26(2)21-33-41(56)50-35(23-28-13-7-4-8-14-28)42(57)48-32(17-18-37(44)52)40(55)51-36(24-29-25-46-31-16-10-9-15-30(29)31)43(58)49-34(22-27-11-5-3-6-12-27)39(54)45-20-19-38(53)47-33/h3,5-6,9-12,15-16,25-26,28,32-36,46H,4,7-8,13-14,17-24H2,1-2H3,(H2,44,52)(H,45,54)(H,47,53)(H,48,57)(H,49,58)(H,50,56)(H,51,55)/t32-,33-,34-,35+,36+/m1/s1
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n/an/an/a 1.45E+3n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407239
PNG
(CHEMBL332872)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CC(O)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C38H50N8O8/c1-22(2)16-25-21-42-29(19-34(49)50)37(53)44-28(12-13-32(39)47)36(52)46-31(18-24-20-41-27-11-7-6-10-26(24)27)38(54)45-30(17-23-8-4-3-5-9-23)35(51)40-15-14-33(48)43-25/h3-11,20,22,25,28-31,41-42H,12-19,21H2,1-2H3,(H2,39,47)(H,40,51)(H,43,48)(H,44,53)(H,45,54)(H,46,52)(H,49,50)/t25-,28-,29+,30-,31+/m1/s1
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n/an/an/a 1.07E+3n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407235
PNG
(CHEMBL331480)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CCC(N)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C46H61N9O7/c1-29(2)23-33-27-51-36(18-20-41(48)62-28-31-13-7-4-8-14-31)44(59)53-37(17-19-40(47)56)45(60)55-39(25-32-26-50-35-16-10-9-15-34(32)35)46(61)54-38(24-30-11-5-3-6-12-30)43(58)49-22-21-42(57)52-33/h3-16,26,29,33,36-39,41,50-51H,17-25,27-28,48H2,1-2H3,(H2,47,56)(H,49,58)(H,52,57)(H,53,59)(H,54,61)(H,55,60)/t33-,36+,37-,38-,39+,41?/m1/s1
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n/an/an/a 54n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407244
PNG
(CHEMBL121271)
Show SMILES CC(C)C[C@@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C47H56N8O6/c1-29(2)22-35-28-51-39(25-31-16-17-32-12-6-7-13-33(32)23-31)46(60)53-38(18-19-42(48)56)45(59)55-41(26-34-27-50-37-15-9-8-14-36(34)37)47(61)54-40(24-30-10-4-3-5-11-30)44(58)49-21-20-43(57)52-35/h3-17,23,27,29,35,38-41,50-51H,18-22,24-26,28H2,1-2H3,(H2,48,56)(H,49,58)(H,52,57)(H,53,60)(H,54,61)(H,55,59)/t35-,38-,39+,40-,41+/m1/s1
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n/an/an/a 43n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407236
PNG
(CHEMBL330810)
Show SMILES CC(C)C[C@@H]1CN[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C43H54N8O6/c1-27(2)21-31-26-47-35(22-28-11-5-3-6-12-28)42(56)49-34(17-18-38(44)52)41(55)51-37(24-30-25-46-33-16-10-9-15-32(30)33)43(57)50-36(23-29-13-7-4-8-14-29)40(54)45-20-19-39(53)48-31/h3-16,25,27,31,34-37,46-47H,17-24,26H2,1-2H3,(H2,44,52)(H,45,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)/t31-,34-,35+,36-,37+/m1/s1
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n/an/an/a 79n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407248
PNG
(CHEMBL421062)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C40H56N8O6/c1-24(2)18-28-23-44-32(19-25(3)4)39(53)46-31(14-15-35(41)49)38(52)48-34(21-27-22-43-30-13-9-8-12-29(27)30)40(54)47-33(20-26-10-6-5-7-11-26)37(51)42-17-16-36(50)45-28/h5-13,22,24-25,28,31-34,43-44H,14-21,23H2,1-4H3,(H2,41,49)(H,42,51)(H,45,50)(H,46,53)(H,47,54)(H,48,52)/t28-,31-,32+,33-,34+/m1/s1
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n/an/an/a 112n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407238
PNG
(CHEMBL333515)
Show SMILES CC(C)C[C@@H]1CN(C)[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C44H62N8O6/c1-28(2)22-32-27-52(3)38(24-30-14-8-5-9-15-30)44(58)49-35(18-19-39(45)53)42(56)51-37(25-31-26-47-34-17-11-10-16-33(31)34)43(57)50-36(23-29-12-6-4-7-13-29)41(55)46-21-20-40(54)48-32/h4,6-7,10-13,16-17,26,28,30,32,35-38,47H,5,8-9,14-15,18-25,27H2,1-3H3,(H2,45,53)(H,46,55)(H,48,54)(H,49,58)(H,50,57)(H,51,56)/t32-,35-,36-,37+,38+/m1/s1
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n/an/an/a 117n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407237
PNG
(CHEMBL433192)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CC(N)=O)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C38H51N9O7/c1-22(2)16-25-21-43-29(19-33(40)49)37(53)45-28(12-13-32(39)48)36(52)47-31(18-24-20-42-27-11-7-6-10-26(24)27)38(54)46-30(17-23-8-4-3-5-9-23)35(51)41-15-14-34(50)44-25/h3-11,20,22,25,28-31,42-43H,12-19,21H2,1-2H3,(H2,39,48)(H2,40,49)(H,41,51)(H,44,50)(H,45,53)(H,46,54)(H,47,52)/t25-,28-,29+,30-,31+/m1/s1
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n/an/an/a 692n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407243
PNG
(CHEMBL384610)
Show SMILES CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)NC1=O
Show InChI InChI=1S/C49H66N10O8/c1-28(2)16-37-46(65)58-40(22-43(62)59(51)27-49-23-30-17-31(24-49)19-32(18-30)25-49)48(67)55-36(12-13-41(50)60)45(64)57-39(21-33-26-53-35-11-7-6-10-34(33)35)47(66)56-38(20-29-8-4-3-5-9-29)44(63)52-15-14-42(61)54-37/h3-11,26,28,30-32,36-40,53H,12-25,27,51H2,1-2H3,(H2,50,60)(H,52,63)(H,54,61)(H,55,67)(H,56,66)(H,57,64)(H,58,65)/t30-,31+,32-,36-,37-,38-,39+,40+,49-/m1/s1
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n/an/an/a 7.94E+3n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407240
PNG
(CHEMBL427606)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C49H68N10O7/c1-29(2)16-35-27-54-39(22-44(62)59(51)28-49-23-31-17-32(24-49)19-33(18-31)25-49)47(65)56-38(12-13-42(50)60)46(64)58-41(21-34-26-53-37-11-7-6-10-36(34)37)48(66)57-40(20-30-8-4-3-5-9-30)45(63)52-15-14-43(61)55-35/h3-11,26,29,31-33,35,38-41,53-54H,12-25,27-28,51H2,1-2H3,(H2,50,60)(H,52,63)(H,55,61)(H,56,65)(H,57,66)(H,58,64)/t31-,32+,33-,35-,38-,39+,40-,41+,49-/m1/s1
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n/an/an/a 129n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407241
PNG
(CHEMBL433191)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C43H60N8O6/c1-27(2)21-31-26-47-35(22-28-11-5-3-6-12-28)42(56)49-34(17-18-38(44)52)41(55)51-37(24-30-25-46-33-16-10-9-15-32(30)33)43(57)50-36(23-29-13-7-4-8-14-29)40(54)45-20-19-39(53)48-31/h4,7-10,13-16,25,27-28,31,34-37,46-47H,3,5-6,11-12,17-24,26H2,1-2H3,(H2,44,52)(H,45,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)/t31-,34-,35+,36-,37+/m1/s1
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n/an/an/a 39n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for agonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery at a concentration of 3-10 uM


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407246
PNG
(CHEMBL334186)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CCC(=O)NCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C46H59N9O7/c1-29(2)23-33-28-50-36(18-20-41(57)51-26-31-13-7-4-8-14-31)44(60)53-37(17-19-40(47)56)45(61)55-39(25-32-27-49-35-16-10-9-15-34(32)35)46(62)54-38(24-30-11-5-3-6-12-30)43(59)48-22-21-42(58)52-33/h3-16,27,29,33,36-39,49-50H,17-26,28H2,1-2H3,(H2,47,56)(H,48,59)(H,51,57)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t33-,36+,37-,38-,39+/m1/s1
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n/an/an/a 15n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407242
PNG
(CHEMBL121571)
Show SMILES CSCC[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O
Show InChI InChI=1S/C39H54N8O6S/c1-24(2)19-27-23-43-30(16-18-54-3)37(51)45-31(13-14-34(40)48)38(52)47-33(21-26-22-42-29-12-8-7-11-28(26)29)39(53)46-32(20-25-9-5-4-6-10-25)36(50)41-17-15-35(49)44-27/h4-12,22,24,27,30-33,42-43H,13-21,23H2,1-3H3,(H2,40,48)(H,41,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)/t27-,30+,31-,32-,33+/m1/s1
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n/an/an/a 224n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407249
PNG
(CHEMBL333027)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
Show InChI InChI=1S/C48H63N9O8/c1-31(2)25-35-29-53-38(19-11-12-23-51-48(64)65-30-33-15-7-4-8-16-33)45(61)55-39(20-21-42(49)58)46(62)57-41(27-34-28-52-37-18-10-9-17-36(34)37)47(63)56-40(26-32-13-5-3-6-14-32)44(60)50-24-22-43(59)54-35/h3-10,13-18,28,31,35,38-41,52-53H,11-12,19-27,29-30H2,1-2H3,(H2,49,58)(H,50,60)(H,51,64)(H,54,59)(H,55,61)(H,56,63)(H,57,62)/t35-,38+,39-,40-,41+/m1/s1
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n/an/an/a 129n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Antagonist activity at NK-2 tachykinin receptors in rabbit pulmonary artery


J Med Chem 37: 3630-8 (1994)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407440
PNG
(CHEMBL439287)
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](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C62H65N11O11/c1-33(2)55(73-60(81)52(26-37-31-66-47-17-9-5-13-42(37)47)70-57(78)49(23-34-19-21-39(74)22-20-34)68-56(77)44(63)28-54(75)76)61(82)71-51(25-36-30-65-46-16-8-4-12-41(36)46)58(79)69-50(24-35-29-64-45-15-7-3-11-40(35)45)59(80)72-53(62(83)84)27-38-32-67-48-18-10-6-14-43(38)48/h3-22,29-33,44,49-53,55,64-67,74H,23-28,63H2,1-2H3,(H,68,77)(H,69,79)(H,70,78)(H,71,82)(H,72,80)(H,73,81)(H,75,76)(H,83,84)/t44-,49-,50+,51+,52+,53+,55-/m0/s1
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n/an/an/a 1.62E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407436
PNG
(CHEMBL329888)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Show InChI InChI=1S/C46H58N8O11S/c1-26(2)19-35(43(61)51-34(46(64)65)17-18-66-3)50-39(56)25-49-42(60)38(22-29-24-48-33-12-8-7-11-31(29)33)54-45(63)37(20-27-9-5-4-6-10-27)53-44(62)36(21-28-13-15-30(55)16-14-28)52-41(59)32(47)23-40(57)58/h4-16,24,26,32,34-38,48,55H,17-23,25,47H2,1-3H3,(H,49,60)(H,50,56)(H,51,61)(H,52,59)(H,53,62)(H,54,63)(H,57,58)(H,64,65)/t32-,34-,35-,36-,37-,38+/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407450
PNG
(CHEMBL266526)
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)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C48H60N12O11/c1-25(2)41(46(69)55-24-39(62)56-37(19-27-22-53-33-10-5-3-8-30(27)33)44(67)57-35(47(70)71)12-7-17-52-48(50)51)60-45(68)38(20-28-23-54-34-11-6-4-9-31(28)34)59-43(66)36(18-26-13-15-29(61)16-14-26)58-42(65)32(49)21-40(63)64/h3-6,8-11,13-16,22-23,25,32,35-38,41,53-54,61H,7,12,17-21,24,49H2,1-2H3,(H,55,69)(H,56,62)(H,57,67)(H,58,65)(H,59,66)(H,60,68)(H,63,64)(H,70,71)(H4,50,51,52)/t32-,35+,36+,37+,38+,41+/m0/s1
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n/an/an/a 263n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407411
PNG
(CHEMBL263997)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[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(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H68N12O11/c1-27(2)20-39(46(69)59-38(51(74)75)14-9-19-56-52(54)55)61-48(71)41(22-30-25-57-36-12-7-5-10-33(30)36)63-50(73)44(28(3)4)64-49(72)42(23-31-26-58-37-13-8-6-11-34(31)37)62-47(70)40(21-29-15-17-32(65)18-16-29)60-45(68)35(53)24-43(66)67/h5-8,10-13,15-18,25-28,35,38-42,44,57-58,65H,9,14,19-24,53H2,1-4H3,(H,59,69)(H,60,68)(H,61,71)(H,62,70)(H,63,73)(H,64,72)(H,66,67)(H,74,75)(H4,54,55,56)/t35-,38-,39-,40-,41+,42+,44-/m0/s1
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n/an/an/a 191n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407412
PNG
(CHEMBL412189)
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](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H64N10O11/c1-33(2)53(70-58(78)50(28-38-32-64-46-19-11-8-16-42(38)46)67-55(75)47(24-35-20-22-39(71)23-21-35)65-54(74)43(61)29-52(72)73)59(79)68-49(27-37-31-63-45-18-10-7-15-41(37)45)56(76)66-48(26-36-30-62-44-17-9-6-14-40(36)44)57(77)69-51(60(80)81)25-34-12-4-3-5-13-34/h3-23,30-33,43,47-51,53,62-64,71H,24-29,61H2,1-2H3,(H,65,74)(H,66,76)(H,67,75)(H,68,79)(H,69,77)(H,70,78)(H,72,73)(H,80,81)/t43-,47-,48+,49+,50+,51-,53-/m0/s1
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n/an/an/a 1.26E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407424
PNG
(CHEMBL262647)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)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(O)=O
Show InChI InChI=1S/C54H70N12O10/c1-30(2)47(66-52(73)45(25-33-29-60-40-18-8-5-15-36(33)40)63-49(70)41(19-9-11-21-55)61-48(69)37(57)26-46(67)68)53(74)65-44(24-32-28-59-39-17-7-4-14-35(32)39)51(72)64-43(23-31-27-58-38-16-6-3-13-34(31)38)50(71)62-42(54(75)76)20-10-12-22-56/h3-8,13-18,27-30,37,41-45,47,58-60H,9-12,19-26,55-57H2,1-2H3,(H,61,69)(H,62,71)(H,63,70)(H,64,72)(H,65,74)(H,66,73)(H,67,68)(H,75,76)/t37-,41-,42-,43+,44+,45+,47-/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407408
PNG
(CHEMBL385914)
Show SMILES 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(O)=O
Show InChI InChI=1S/C55H63N11O11/c1-30(61-51(72)45(23-32-27-58-40-13-5-2-10-36(32)40)65-52(73)44(22-31-17-19-35(67)20-18-31)64-50(71)39(57)26-48(68)69)49(70)63-46(24-33-28-59-41-14-6-3-11-37(33)41)54(75)66-47(25-34-29-60-42-15-7-4-12-38(34)42)53(74)62-43(55(76)77)16-8-9-21-56/h2-7,10-15,17-20,27-30,39,43-47,58-60,67H,8-9,16,21-26,56-57H2,1H3,(H,61,72)(H,62,74)(H,63,70)(H,64,71)(H,65,73)(H,66,75)(H,68,69)(H,76,77)/t30-,39-,43-,44-,45+,46+,47+/m0/s1
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n/an/an/a 1.35E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407443
PNG
(CHEMBL267409)
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)NCC(O)=O
Show InChI InChI=1S/C53H58N10O11/c1-28(2)47(63-52(73)44(22-32-26-57-40-14-8-5-11-36(32)40)61-50(71)41(19-29-15-17-33(64)18-16-29)59-48(69)37(54)23-45(65)66)53(74)62-43(21-31-25-56-39-13-7-4-10-35(31)39)51(72)60-42(49(70)58-27-46(67)68)20-30-24-55-38-12-6-3-9-34(30)38/h3-18,24-26,28,37,41-44,47,55-57,64H,19-23,27,54H2,1-2H3,(H,58,70)(H,59,69)(H,60,72)(H,61,71)(H,62,74)(H,63,73)(H,65,66)(H,67,68)/t37-,41-,42+,43+,44+,47-/m0/s1
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n/an/an/a 1.48E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407407
PNG
(CHEMBL407328)
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(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C57H68N14O10/c1-30(2)49(71-54(78)47(25-34-29-65-42-15-8-5-12-38(34)42)69-51(75)44(22-31-17-19-35(72)20-18-31)67-50(74)39(58)26-48(59)73)55(79)70-46(24-33-28-64-41-14-7-4-11-37(33)41)53(77)68-45(23-32-27-63-40-13-6-3-10-36(32)40)52(76)66-43(56(80)81)16-9-21-62-57(60)61/h3-8,10-15,17-20,27-30,39,43-47,49,63-65,72H,9,16,21-26,58H2,1-2H3,(H2,59,73)(H,66,76)(H,67,74)(H,68,77)(H,69,75)(H,70,79)(H,71,78)(H,80,81)(H4,60,61,62)/t39-,43-,44-,45+,46+,47+,49-/m0/s1
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n/an/an/a 65n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407416
PNG
(CHEMBL412830)
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](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C56H62N10O13/c1-29(2)49(66-54(76)46(24-33-28-60-41-14-8-5-11-37(33)41)64-51(73)43(21-30-15-17-34(67)18-16-30)62-50(72)38(57)25-48(70)71)55(77)65-45(23-32-27-59-40-13-7-4-10-36(32)40)53(75)63-44(22-31-26-58-39-12-6-3-9-35(31)39)52(74)61-42(56(78)79)19-20-47(68)69/h3-18,26-29,38,42-46,49,58-60,67H,19-25,57H2,1-2H3,(H,61,74)(H,62,72)(H,63,75)(H,64,73)(H,65,77)(H,66,76)(H,68,69)(H,70,71)(H,78,79)/t38-,42-,43-,44+,45+,46+,49-/m0/s1
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n/an/an/a 2.63E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407417
PNG
(CHEMBL268563)
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)CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C61H67N11O10/c1-34(2)54(72-59(79)51(30-39-33-66-47-19-11-8-16-43(39)47)69-56(76)48(26-36-20-22-40(73)23-21-36)67-55(75)44(62)24-25-53(63)74)60(80)70-50(29-38-32-65-46-18-10-7-15-42(38)46)57(77)68-49(28-37-31-64-45-17-9-6-14-41(37)45)58(78)71-52(61(81)82)27-35-12-4-3-5-13-35/h3-23,31-34,44,48-52,54,64-66,73H,24-30,62H2,1-2H3,(H2,63,74)(H,67,75)(H,68,77)(H,69,76)(H,70,80)(H,71,78)(H,72,79)(H,81,82)/t44-,48-,49+,50+,51+,52-,54-/m0/s1
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n/an/an/a 1.66E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407451
PNG
(CHEMBL413730)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C51H64N10O14/c1-27(2)43(61-48(72)41(25-31-11-19-35(65)20-12-31)59-46(70)38(22-28-5-13-32(62)14-6-28)57-44(68)36(52)26-42(66)67)49(73)60-40(24-30-9-17-34(64)18-10-30)47(71)58-39(23-29-7-15-33(63)16-8-29)45(69)56-37(50(74)75)4-3-21-55-51(53)54/h5-20,27,36-41,43,62-65H,3-4,21-26,52H2,1-2H3,(H,56,69)(H,57,68)(H,58,71)(H,59,70)(H,60,73)(H,61,72)(H,66,67)(H,74,75)(H4,53,54,55)/t36-,37-,38-,39-,40-,41-,43-/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407429
PNG
(CHEMBL385603)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[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(C)C)C(O)=O
Show InChI InChI=1S/C57H66N10O11/c1-30(2)21-48(57(77)78)66-54(74)45(23-33-27-59-41-14-8-5-11-37(33)41)63-53(73)46(24-34-28-60-42-15-9-6-12-38(34)42)65-56(76)50(31(3)4)67-55(75)47(25-35-29-61-43-16-10-7-13-39(35)43)64-52(72)44(22-32-17-19-36(68)20-18-32)62-51(71)40(58)26-49(69)70/h5-20,27-31,40,44-48,50,59-61,68H,21-26,58H2,1-4H3,(H,62,71)(H,63,73)(H,64,72)(H,65,76)(H,66,74)(H,67,75)(H,69,70)(H,77,78)/t40-,44-,45+,46+,47+,48-,50-/m0/s1
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n/an/an/a 1.62E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407406
PNG
(CHEMBL217365)
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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C57H67N13O11/c1-30(2)49(70-54(78)47(25-34-29-64-42-15-8-5-12-38(34)42)68-51(75)44(22-31-17-19-35(71)20-18-31)66-50(74)39(58)26-48(72)73)55(79)69-46(24-33-28-63-41-14-7-4-11-37(33)41)53(77)67-45(23-32-27-62-40-13-6-3-10-36(32)40)52(76)65-43(56(80)81)16-9-21-61-57(59)60/h3-8,10-15,17-20,27-30,39,43-47,49,62-64,71H,9,16,21-26,58H2,1-2H3,(H,65,76)(H,66,74)(H,67,77)(H,68,75)(H,69,79)(H,70,78)(H,72,73)(H,80,81)(H4,59,60,61)/t39-,43-,44-,45+,46+,47-,49-/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407442
PNG
(CHEMBL327457)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Show InChI InChI=1S/C48H59N9O10S/c1-27(2)19-37(45(63)54-36(48(66)67)17-18-68-3)53-41(58)26-52-44(62)39(21-29-24-50-34-15-9-7-13-31(29)34)57-46(64)38(20-28-11-5-4-6-12-28)56-47(65)40(55-43(61)33(49)23-42(59)60)22-30-25-51-35-16-10-8-14-32(30)35/h4-16,24-25,27,33,36-40,50-51H,17-23,26,49H2,1-3H3,(H,52,62)(H,53,58)(H,54,63)(H,55,61)(H,56,65)(H,57,64)(H,59,60)(H,66,67)/t33-,36-,37-,38-,39+,40+/m0/s1
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n/an/an/a 5.89E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407447
PNG
(CHEMBL263743)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C51H64N12O11/c1-27(2)43(62-47(70)41-14-8-20-63(41)49(72)40(21-28-15-17-31(64)18-16-28)61-44(67)34(52)24-42(65)66)48(71)60-39(23-30-26-57-36-12-6-4-10-33(30)36)46(69)59-38(22-29-25-56-35-11-5-3-9-32(29)35)45(68)58-37(50(73)74)13-7-19-55-51(53)54/h3-6,9-12,15-18,25-27,34,37-41,43,56-57,64H,7-8,13-14,19-24,52H2,1-2H3,(H,58,68)(H,59,69)(H,60,71)(H,61,67)(H,62,70)(H,65,66)(H,73,74)(H4,53,54,55)/t34-,37-,38-,39-,40-,41-,43-/m0/s1
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n/an/an/a 1.29E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407410
PNG
(CHEMBL429340)
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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C57H67N13O11/c1-30(2)49(70-54(78)47(25-34-29-64-42-15-8-5-12-38(34)42)68-51(75)44(22-31-17-19-35(71)20-18-31)66-50(74)39(58)26-48(72)73)55(79)69-46(24-33-28-63-41-14-7-4-11-37(33)41)53(77)67-45(23-32-27-62-40-13-6-3-10-36(32)40)52(76)65-43(56(80)81)16-9-21-61-57(59)60/h3-8,10-15,17-20,27-30,39,43-47,49,62-64,71H,9,16,21-26,58H2,1-2H3,(H,65,76)(H,66,74)(H,67,77)(H,68,75)(H,69,79)(H,70,78)(H,72,73)(H,80,81)(H4,59,60,61)/t39-,43-,44-,45+,46+,47+,49-/m0/s1
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n/an/an/a 22n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407439
PNG
(CHEMBL438716)
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)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C48H60N12O11/c1-25(2)41(46(69)55-24-39(62)56-37(19-27-22-53-33-10-5-3-8-30(27)33)44(67)57-35(47(70)71)12-7-17-52-48(50)51)60-45(68)38(20-28-23-54-34-11-6-4-9-31(28)34)59-43(66)36(18-26-13-15-29(61)16-14-26)58-42(65)32(49)21-40(63)64/h3-6,8-11,13-16,22-23,25,32,35-38,41,53-54,61H,7,12,17-21,24,49H2,1-2H3,(H,55,69)(H,56,62)(H,57,67)(H,58,65)(H,59,66)(H,60,68)(H,63,64)(H,70,71)(H4,50,51,52)/t32-,35-,36-,37+,38+,41-/m0/s1
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n/an/an/a 1.95E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407414
PNG
(CHEMBL216897)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H68N14O10/c1-31(2)51(73-56(80)49(25-35-30-67-44-19-10-6-15-39(35)44)71-54(78)46(69-52(76)40(60)26-50(74)75)22-32-27-64-41-16-7-3-12-36(32)41)57(81)72-48(24-34-29-66-43-18-9-5-14-38(34)43)55(79)70-47(23-33-28-65-42-17-8-4-13-37(33)42)53(77)68-45(58(82)83)20-11-21-63-59(61)62/h3-10,12-19,27-31,40,45-49,51,64-67H,11,20-26,60H2,1-2H3,(H,68,77)(H,69,76)(H,70,79)(H,71,78)(H,72,81)(H,73,80)(H,74,75)(H,82,83)(H4,61,62,63)/t40-,45-,46-,47+,48+,49+,51-/m0/s1
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n/an/an/a 6.31E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407445
PNG
(CHEMBL387199)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[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(C)C)C(O)=O
Show InChI InChI=1S/C56H64N10O11S/c1-30(2)49(66-54(74)47(25-34-29-60-42-15-9-6-12-38(34)42)64-51(71)44(22-31-16-18-35(67)19-17-31)62-50(70)39(57)26-48(68)69)55(75)65-46(24-33-28-59-41-14-8-5-11-37(33)41)53(73)63-45(52(72)61-43(56(76)77)20-21-78-3)23-32-27-58-40-13-7-4-10-36(32)40/h4-19,27-30,39,43-47,49,58-60,67H,20-26,57H2,1-3H3,(H,61,72)(H,62,70)(H,63,73)(H,64,71)(H,65,75)(H,66,74)(H,68,69)(H,76,77)/t39-,43-,44-,45+,46+,47+,49-/m0/s1
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n/an/an/a 89n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407432
PNG
(CHEMBL263985)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H68N14O10/c1-31(2)51(73-56(80)49(25-35-30-67-44-19-10-6-15-39(35)44)71-54(78)46(69-52(76)40(60)26-50(74)75)22-32-27-64-41-16-7-3-12-36(32)41)57(81)72-48(24-34-29-66-43-18-9-5-14-38(34)43)55(79)70-47(23-33-28-65-42-17-8-4-13-37(33)42)53(77)68-45(58(82)83)20-11-21-63-59(61)62/h3-10,12-19,27-31,40,45-49,51,64-67H,11,20-26,60H2,1-2H3,(H,68,77)(H,69,76)(H,70,79)(H,71,78)(H,72,81)(H,73,80)(H,74,75)(H,82,83)(H4,61,62,63)/t40-,45-,46+,47+,48+,49+,51-/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407419
PNG
(CHEMBL412621)
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](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C60H64N10O12/c1-32(2)53(70-58(79)50(27-37-31-64-46-14-8-5-11-42(37)46)67-55(76)47(23-33-15-19-38(71)20-16-33)65-54(75)43(61)28-52(73)74)59(80)68-49(26-36-30-63-45-13-7-4-10-41(36)45)56(77)66-48(25-35-29-62-44-12-6-3-9-40(35)44)57(78)69-51(60(81)82)24-34-17-21-39(72)22-18-34/h3-22,29-32,43,47-51,53,62-64,71-72H,23-28,61H2,1-2H3,(H,65,75)(H,66,77)(H,67,76)(H,68,80)(H,69,78)(H,70,79)(H,73,74)(H,81,82)/t43-,47-,48+,49+,50+,51-,53-/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407449
PNG
(CHEMBL406487)
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](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C57H67N13O11/c1-30(2)49(70-54(78)47(25-34-29-64-42-15-8-5-12-38(34)42)68-51(75)44(22-31-17-19-35(71)20-18-31)66-50(74)39(58)26-48(72)73)55(79)69-46(24-33-28-63-41-14-7-4-11-37(33)41)53(77)67-45(23-32-27-62-40-13-6-3-10-36(32)40)52(76)65-43(56(80)81)16-9-21-61-57(59)60/h3-8,10-15,17-20,27-30,39,43-47,49,62-64,71H,9,16,21-26,58H2,1-2H3,(H,65,76)(H,66,74)(H,67,77)(H,68,75)(H,69,79)(H,70,78)(H,72,73)(H,80,81)(H4,59,60,61)/t39-,43+,44+,45+,46+,47+,49+/m0/s1
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n/an/an/a 407n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50407415
PNG
(CHEMBL441181)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)=O
Show InChI InChI=1S/C50H60N10O11S/c1-26(2)43(60-47(67)40(20-29-24-54-36-15-9-6-12-32(29)36)57-48(68)41(25-61)59-44(64)33(51)21-42(62)63)49(69)58-39(19-28-23-53-35-14-8-5-11-31(28)35)46(66)56-38(45(65)55-37(50(70)71)16-17-72-3)18-27-22-52-34-13-7-4-10-30(27)34/h4-15,22-24,26,33,37-41,43,52-54,61H,16-21,25,51H2,1-3H3,(H,55,65)(H,56,66)(H,57,68)(H,58,69)(H,59,64)(H,60,67)(H,62,63)(H,70,71)/t33-,37-,38+,39+,40+,41-,43-/m0/s1
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n/an/an/a 4.79E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity against Tachykinin receptor 2 was measured by Rabbit pulmonary artery(RPA) assay.


J Med Chem 38: 2705-13 (1995)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50045040
PNG
(CHEMBL296267 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-dia...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C=O)c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)
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n/an/an/a 1.26E+4n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50045037
PNG
(CHEMBL295073 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-dia...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50045032
PNG
(CHEMBL296441 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-dia...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C)c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50406789
PNG
(CHEMBL45085)
Show SMILES COC(=O)n1cc(CC(NC(=O)CC2NC(=O)C3C4CCC(CC4)N3C2=O)C(=O)NC(Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C42H46N6O7/c1-46(24-27-13-7-4-8-14-27)40(52)33(21-26-11-5-3-6-12-26)44-38(50)32(22-29-25-47(42(54)55-2)35-16-10-9-15-31(29)35)43-36(49)23-34-41(53)48-30-19-17-28(18-20-30)37(48)39(51)45-34/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,43,49)(H,44,50)(H,45,51)
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n/an/an/a 1.58E+4n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50045036
PNG
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C(=O)CCCCCC[NH3+])c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50406792
PNG
(CHEMBL437060)
Show SMILES CCCCCCCC(=O)n1cc(CC(NC(=O)CC2NC(=O)C3C4CCC(CC4)N3C2=O)C(=O)NC(Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)
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n/an/an/a 1.58E+4n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50406790
PNG
(CHEMBL46849)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C(C)=O)c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C42H46N6O6/c1-26(49)47-25-30(32-15-9-10-16-36(32)47)22-33(43-37(50)23-35-42(54)48-31-19-17-29(18-20-31)38(48)40(52)45-35)39(51)44-34(21-27-11-5-3-6-12-27)41(53)46(2)24-28-13-7-4-8-14-28/h3-16,25,29,31,33-35,38H,17-24H2,1-2H3,(H,43,50)(H,44,51)(H,45,52)
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n/an/an/a 126n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Oryctolagus cuniculus)
BDBM50045035
PNG
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)
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n/an/an/a 1.58E+4n/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
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