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Compile Data Set for Download or QSAR

Found 29 hits from A. Menarini Industrie Farmaceutiche Riunite   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurokinin 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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 4.10n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 68n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50407247
PNG
(CHEMBL332820)
Show SMILES CC(C)C[C@@H]1CN[C@@H](CCCCN)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/C40H57N9O6/c1-25(2)20-28-24-45-31(14-8-9-18-41)38(53)47-32(15-16-35(42)50)39(54)49-34(22-27-23-44-30-13-7-6-12-29(27)30)40(55)48-33(21-26-10-4-3-5-11-26)37(52)43-19-17-36(51)46-28/h3-7,10-13,23,25,28,31-34,44-45H,8-9,14-22,24,41H2,1-2H3,(H2,42,50)(H,43,52)(H,46,51)(H,47,53)(H,48,55)(H,49,54)/t28-,31+,32-,33-,34+/m1/s1
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n/an/an/a 309n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 100n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 0.871n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 110n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 2.20n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 3.80n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 16n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 19n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 6.80n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 13n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 32n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 0.550n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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 1.60n/an/an/an/an/a



A. Menarini Industrie Farmaceutiche Riunite

Curated by ChEMBL


Assay Description
Tested for antagonist activity at NK-2 tachykinin receptors in hamster trachea


J Med Chem 37: 3630-8 (1994)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
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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Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00047a020
BindingDB Entry DOI: 10.7270/Q2X34ZNN
More data for this
Ligand-Target Pair