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Compile Data Set for Download or QSAR

Found 1748 hits Enz. Inhib. hit(s) with Target = 'Neurokinin 2 receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476247
PNG
(CHEMBL224081)
Show SMILES [O-][S+]1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1/C38H44N6O5S/c45-35-22-34(41-28-15-17-50(49)18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t28?,29-,32+,33+,34-,50?/s2
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0.0251n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415924
PNG
(CHEMBL1083850)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1/C37H50N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/s2
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476235
PNG
(CHEMBL436981)
Show SMILES NS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1/C38H46N8O6S/c39-53(51,52)46-17-15-28(16-18-46)42-34-22-35(47)44-33(21-27-23-40-31-14-8-7-13-30(27)31)38(50)45-32(20-26-11-5-2-6-12-26)37(49)43-29(24-41-36(34)48)19-25-9-3-1-4-10-25/h1-14,23,28-29,32-34,40,42H,15-22,24H2,(H,41,48)(H,43,49)(H,44,47)(H,45,50)(H2,39,51,52)/t29-,32+,33+,34-/s2
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404016
PNG
(CHEMBL2112922)
Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00841-1
BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476788
PNG
(CHEMBL243711)
Show SMILES Clc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C36H45ClN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1
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0.0525n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476771
PNG
(CHEMBL244362)
Show SMILES Brc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C36H45BrN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1
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0.0575n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476748
PNG
(CHEMBL395972)
Show SMILES FC(F)(F)c1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C37H45F3N4O4S/c38-37(39,40)29-9-8-28-21-32(49-31(28)22-29)34(46)43-36(14-4-5-15-36)35(47)42-30(20-25-6-2-1-3-7-25)33(45)41-23-26-10-16-44(17-11-26)24-27-12-18-48-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,41,45)(H,42,47)(H,43,46)/t30-/m1/s1
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0.0603n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476221
PNG
(CHEMBL387506)
Show SMILES O=C1C[C@@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1/C38H44N6O5/c45-35-22-34(41-28-15-17-49-18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/s2
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0.0631n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476233
PNG
(CHEMBL439281)
Show SMILES CS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1/C39H47N7O6S/c1-53(51,52)46-18-16-29(17-19-46)42-35-23-36(47)44-34(22-28-24-40-32-15-9-8-14-31(28)32)39(50)45-33(21-27-12-6-3-7-13-27)38(49)43-30(25-41-37(35)48)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40,42H,16-23,25H2,1H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,33+,34+,35-/s2
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0.0631n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476750
PNG
(IBODUTANT | Ibodutant | MEN-15596)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1
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0.0759n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415954
PNG
(CHEMBL1083858)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCN1CCN(CC1)C1CCOCC1)Cc1ccccc1
Show InChI InChI=1/C35H46N4O3S/c1-26-9-10-28-25-32(43-31(28)23-26)33(40)37-35(14-5-6-15-35)34(41)36-29(24-27-7-3-2-4-8-27)11-16-38-17-19-39(20-18-38)30-12-21-42-22-13-30/h2-4,7-10,23,25,29-30H,5-6,11-22,24H2,1H3,(H,36,41)(H,37,40)/t29-/s2
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0.0794n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415966
PNG
(CHEMBL1083974)
Show SMILES N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1/C21H33N3O2/c22-20(16-18-4-2-1-3-5-18)6-7-21(25)24-12-10-23(11-13-24)17-19-8-14-26-15-9-19/h1-5,19-20H,6-17,22H2/t20-/s2
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0.0794n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476764
PNG
(CHEMBL395974)
Show SMILES CCN(CC)c1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C40H55N5O4S/c1-3-45(4-2)33-13-12-32-25-36(50-35(32)26-33)38(47)43-40(18-8-9-19-40)39(48)42-34(24-29-10-6-5-7-11-29)37(46)41-27-30-14-20-44(21-15-30)28-31-16-22-49-23-17-31/h5-7,10-13,25-26,30-31,34H,3-4,8-9,14-24,27-28H2,1-2H3,(H,41,46)(H,42,48)(H,43,47)/t34-/m1/s1
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0.0977n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476219
PNG
(CHEMBL225297)
Show SMILES NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1
Show InChI InChI=1/C39H47N9O7S/c40-56(54,55)48-17-15-47(16-18-48)25-36(50)45-34-22-35(49)44-33(21-28-23-41-31-14-8-7-13-30(28)31)39(53)46-32(20-27-11-5-2-6-12-27)38(52)43-29(24-42-37(34)51)19-26-9-3-1-4-10-26/h1-14,23,29,32-34,41H,15-22,24-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)(H2,40,54,55)/t29-,32+,33+,34-/s2
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476250
PNG
(CHEMBL389510)
Show SMILES O=C1C[C@@H](NC2CCSCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1/C38H44N6O4S/c45-35-22-34(41-28-15-17-49-18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/s2
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50472916
PNG
(CHEMBL223221 | MEN-11690)
Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl
Show InChI InChI=1/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/s2
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50472916
PNG
(CHEMBL223221 | MEN-11690)
Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl
Show InChI InChI=1/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/s2
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments


J Med Chem 45: 3418-29 (2002)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415928
PNG
(CHEMBL1083879)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)C1CCOCC1)Cc1ccccc1
Show InChI InChI=1/C37H48N4O4S/c1-27-11-12-30-26-33(46-32(30)24-27)34(42)39-37(15-5-6-16-37)36(44)38-31(25-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)35(43)29-13-22-45-23-14-29/h2-4,8-9,11-12,24,26,29,31H,5-7,10,13-23,25H2,1H3,(H,38,44)(H,39,42)/t31-/s2
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Rattus norvegicus (Rat))
BDBM50212987
PNG
(CHEMBL2110370 | GR-159897)
Show SMILES COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/s2
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78HDG
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50472916
PNG
(CHEMBL223221 | MEN-11690)
Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl
Show InChI InChI=1/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/s2
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 2


J Med Chem 43: 4041-4 (2000)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476754
PNG
(CHEMBL242626)
Show SMILES O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C36H40N6O4S/c43-32(42-22-20-41(21-23-42)31-14-6-9-18-37-31)15-19-38-33(44)28(24-26-10-2-1-3-11-26)39-35(46)36(16-7-8-17-36)40-34(45)30-25-27-12-4-5-13-29(27)47-30/h1-6,9-14,18,25,28H,7-8,15-17,19-24H2,(H,38,44)(H,39,46)(H,40,45)/t28-/m1/s1
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0.117n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476229
PNG
(CHEMBL224374)
Show SMILES OC1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1
Show InChI InChI=1/C40H47N7O6/c48-30-15-17-47(18-16-30)25-37(50)45-35-22-36(49)44-34(21-28-23-41-32-14-8-7-13-31(28)32)40(53)46-33(20-27-11-5-2-6-12-27)39(52)43-29(24-42-38(35)51)19-26-9-3-1-4-10-26/h1-14,23,29-30,33-35,41,48H,15-22,24-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)/t29-,33+,34+,35-/s2
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476251
PNG
(CHEMBL224003)
Show SMILES CC(=O)N1CCN(CC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1/C39H45N7O5/c1-26(47)45-16-18-46(19-17-45)35-23-36(48)43-34(22-29-24-40-32-15-9-8-14-31(29)32)38(50)44-33(21-28-12-6-3-7-13-28)37(49)42-30(25-41-39(35)51)20-27-10-4-2-5-11-27/h2-15,24,30,33-35,40H,16-23,25H2,1H3,(H,41,51)(H,42,49)(H,43,48)(H,44,50)/t30-,33+,34+,35-/s2
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404025
PNG
(CHEMBL2112925)
Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCOCC1
Show InChI InChI=1S/C38H42N6O6/c45-34-22-30(38(49)44-15-17-50-18-16-44)35(46)40-24-28(19-25-9-3-1-4-10-25)41-36(47)32(20-26-11-5-2-6-12-26)43-37(48)33(42-34)21-27-23-39-31-14-8-7-13-29(27)31/h1-14,23,28,30,32-33,39H,15-22,24H2,(H,40,46)(H,41,47)(H,42,45)(H,43,48)/t28-,30?,32-,33-/m0/s1
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


Article DOI: 10.1016/s0960-894x(01)00841-1
BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415949
PNG
(CHEMBL1083863)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1/C38H51N3O3S/c1-28-12-13-32-26-35(45-34(32)24-28)36(42)40-38(18-5-6-19-38)37(43)39-33(25-30-8-3-2-4-9-30)11-7-10-29-14-20-41(21-15-29)27-31-16-22-44-23-17-31/h2-4,8-9,12-13,24,26,29,31,33H,5-7,10-11,14-23,25,27H2,1H3,(H,39,43)(H,40,42)/t33-/s2
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415943
PNG
(CHEMBL1083869)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C38H45FN4O2S/c1-28-11-14-31-26-35(46-34(31)24-28)36(44)41-38(17-5-6-18-38)37(45)40-33(25-29-8-3-2-4-9-29)10-7-19-42-20-22-43(23-21-42)27-30-12-15-32(39)16-13-30/h2-4,8-9,11-16,24,26,33H,5-7,10,17-23,25,27H2,1H3,(H,40,45)(H,41,44)/t33-/s2
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476793
PNG
(CHEMBL394780)
Show SMILES NS(=O)(=O)N1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C31H40N6O5S2/c32-44(41,42)37-19-17-36(18-20-37)16-8-15-33-28(38)25(21-23-9-2-1-3-10-23)34-30(40)31(13-6-7-14-31)35-29(39)27-22-24-11-4-5-12-26(24)43-27/h1-5,9-12,22,25H,6-8,13-21H2,(H,33,38)(H,34,40)(H,35,39)(H2,32,41,42)/t25-/m1/s1
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0.132n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476753
PNG
(CHEMBL395973)
Show SMILES COc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C37H48N4O5S/c1-45-30-10-9-29-22-33(47-32(29)23-30)35(43)40-37(15-5-6-16-37)36(44)39-31(21-26-7-3-2-4-8-26)34(42)38-24-27-11-17-41(18-12-27)25-28-13-19-46-20-14-28/h2-4,7-10,22-23,27-28,31H,5-6,11-21,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1
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0.141n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50469874
PNG
(CHEMBL59780)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38-,39-,40-,41-/m0/s1
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0.155n/an/an/an/an/an/an/an/a



Glaxo Institute for Molecular Biology

Curated by ChEMBL


Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand


J Med Chem 37: 1991-5 (1994)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50048413
PNG
(CHEMBL2370064)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38+,39-,40-,41+/m0/s1
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0.155n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells


J Med Chem 57: 8187-203 (2014)


Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415938
PNG
(CHEMBL1083875)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccoc2)CC1)Cc1ccccc1
Show InChI InChI=1/C36H44N4O3S/c1-27-11-12-30-24-33(44-32(30)22-27)34(41)38-36(14-5-6-15-36)35(42)37-31(23-28-8-3-2-4-9-28)10-7-16-39-17-19-40(20-18-39)25-29-13-21-43-26-29/h2-4,8-9,11-13,21-22,24,26,31H,5-7,10,14-20,23,25H2,1H3,(H,37,42)(H,38,41)/t31-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415970
PNG
(CHEMBL1083870)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccccn2)CC1)Cc1ccccc1
Show InChI InChI=1/C37H45N5O2S/c1-28-14-15-30-26-34(45-33(30)24-28)35(43)40-37(16-6-7-17-37)36(44)39-31(25-29-10-3-2-4-11-29)13-9-19-41-20-22-42(23-21-41)27-32-12-5-8-18-38-32/h2-5,8,10-12,14-15,18,24,26,31H,6-7,9,13,16-17,19-23,25,27H2,1H3,(H,39,44)(H,40,43)/t31-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415940
PNG
(CHEMBL1083873)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cccs2)CC1)Cc1ccccc1
Show InChI InChI=1/C36H44N4O2S2/c1-27-13-14-29-25-33(44-32(29)23-27)34(41)38-36(15-5-6-16-36)35(42)37-30(24-28-9-3-2-4-10-28)11-7-17-39-18-20-40(21-19-39)26-31-12-8-22-43-31/h2-4,8-10,12-14,22-23,25,30H,5-7,11,15-21,24,26H2,1H3,(H,37,42)(H,38,41)/t30-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415939
PNG
(CHEMBL1083874)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccsc2)CC1)Cc1ccccc1
Show InChI InChI=1/C36H44N4O2S2/c1-27-11-12-30-24-33(44-32(30)22-27)34(41)38-36(14-5-6-15-36)35(42)37-31(23-28-8-3-2-4-9-28)10-7-16-39-17-19-40(20-18-39)25-29-13-21-43-26-29/h2-4,8-9,11-13,21-22,24,26,31H,5-7,10,14-20,23,25H2,1H3,(H,37,42)(H,38,41)/t31-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor


J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476222
PNG
(CHEMBL266284)
Show SMILES CN(C1CCOCC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1/C39H46N6O5/c1-45(30-16-18-50-19-17-30)35-23-36(46)43-34(22-28-24-40-32-15-9-8-14-31(28)32)38(48)44-33(21-27-12-6-3-7-13-27)37(47)42-29(25-41-39(35)49)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40H,16-23,25H2,1H3,(H,41,49)(H,42,47)(H,43,46)(H,44,48)/t29-,33+,34+,35-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476223
PNG
(CHEMBL413715)
Show SMILES N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O
Show InChI InChI=1/C33H34Cl2N6O4/c34-24-11-10-20(13-25(24)35)12-22-18-38-31(43)26(36)16-30(42)40-29(15-21-17-37-27-9-5-4-8-23(21)27)33(45)41-28(32(44)39-22)14-19-6-2-1-3-7-19/h1-11,13,17,22,26,28-29,37H,12,14-16,18,36H2,(H,38,43)(H,39,44)(H,40,42)(H,41,45)/t22-,26-,28+,29+/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50473829
PNG
(CHEMBL389459 | MEN-11995)
Show SMILES O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1/C37H42N6O5/c44-34-22-33(43-15-17-48-18-16-43)37(47)39-24-28(19-25-9-3-1-4-10-25)40-35(45)31(20-26-11-5-2-6-12-26)42-36(46)32(41-34)21-27-23-38-30-14-8-7-13-29(27)30/h1-14,23,28,31-33,38H,15-22,24H2,(H,39,47)(H,40,45)(H,41,44)(H,42,46)/t28-,31+,32+,33-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments


J Med Chem 45: 3418-29 (2002)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476244
PNG
(CHEMBL389511)
Show SMILES O=C1C[C@@H](NC2CCS(=O)(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1/C38H44N6O6S/c45-35-22-34(41-28-15-17-51(49,50)18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476231
PNG
(CHEMBL225588)
Show SMILES O=C(CN1CCC(CC1)N1CCOCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1/C44H54N8O6/c53-40-26-39(49-41(54)29-51-17-15-34(16-18-51)52-19-21-58-22-20-52)42(55)46-28-33(23-30-9-3-1-4-10-30)47-43(56)37(24-31-11-5-2-6-12-31)50-44(57)38(48-40)25-32-27-45-36-14-8-7-13-35(32)36/h1-14,27,33-34,37-39,45H,15-26,28-29H2,(H,46,55)(H,47,56)(H,48,53)(H,49,54)(H,50,57)/t33-,37+,38+,39-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50473829
PNG
(CHEMBL389459 | MEN-11995)
Show SMILES O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1/C37H42N6O5/c44-34-22-33(43-15-17-48-18-16-43)37(47)39-24-28(19-25-9-3-1-4-10-25)40-35(45)31(20-26-11-5-2-6-12-26)42-36(46)32(41-34)21-27-23-38-30-14-8-7-13-29(27)30/h1-14,23,28,31-33,38H,15-22,24H2,(H,39,47)(H,40,45)(H,41,44)(H,42,46)/t28-,31+,32+,33-/s2
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0.158n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476220
PNG
(CHEMBL225392)
Show SMILES N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O
Show InChI InChI=1/C33H34Cl2N6O4/c34-24-11-10-20(13-25(24)35)12-22-18-38-31(43)26(36)16-30(42)40-29(15-21-17-37-27-9-5-4-8-23(21)27)33(45)41-28(32(44)39-22)14-19-6-2-1-3-7-19/h1-11,13,17,22,26,28-29,37H,12,14-16,18,36H2,(H,38,43)(H,39,44)(H,40,42)(H,41,45)/t22-,26+,28+,29+/s2
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0.200n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476256
PNG
(CHEMBL388626)
Show SMILES CN1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1/C39H47N7O4/c1-46-18-16-29(17-19-46)42-35-23-36(47)44-34(22-28-24-40-32-15-9-8-14-31(28)32)39(50)45-33(21-27-12-6-3-7-13-27)38(49)43-30(25-41-37(35)48)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40,42H,16-23,25H2,1H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,33+,34+,35-/s2
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0.200n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476253
PNG
(CHEMBL389279)
Show SMILES O=C1C[C@@H](N2CCC(CC2)N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1/C42H51N7O5/c50-39-26-38(49-17-15-33(16-18-49)48-19-21-54-22-20-48)42(53)44-28-32(23-29-9-3-1-4-10-29)45-40(51)36(24-30-11-5-2-6-12-30)47-41(52)37(46-39)25-31-27-43-35-14-8-7-13-34(31)35/h1-14,27,32-33,36-38,43H,15-26,28H2,(H,44,53)(H,45,51)(H,46,50)(H,47,52)/t32-,36+,37+,38-/s2
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0.200n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476236
PNG
(CHEMBL224009)
Show SMILES O=C1C[C@@H](N2CCC(CC2)N2CCCCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Show InChI InChI=1/C43H53N7O4/c51-40-27-39(50-22-18-34(19-23-50)49-20-10-3-11-21-49)43(54)45-29-33(24-30-12-4-1-5-13-30)46-41(52)37(25-31-14-6-2-7-15-31)48-42(53)38(47-40)26-32-28-44-36-17-9-8-16-35(32)36/h1-2,4-9,12-17,28,33-34,37-39,44H,3,10-11,18-27,29H2,(H,45,54)(H,46,52)(H,47,51)(H,48,53)/t33-,37+,38+,39-/s2
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0.200n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells


J Med Chem 47: 6935-47 (2004)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(GUINEA PIG)
BDBM50116083
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding to Tachykinin receptor 2


Bioorg Med Chem Lett 12: 2125-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00340-2
BindingDB Entry DOI: 10.7270/Q2JQ11JS
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116745
PNG
(CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand


Bioorg Med Chem Lett 12: 2355-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00462-6
BindingDB Entry DOI: 10.7270/Q26T0KXW
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476766
PNG
(CHEMBL243496)
Show SMILES O=C(NCC1CCN(CC2CCOCC2)CC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C36H46N4O4S/c41-33(37-24-27-12-18-40(19-13-27)25-28-14-20-44-21-15-28)30(22-26-8-2-1-3-9-26)38-35(43)36(16-6-7-17-36)39-34(42)32-23-29-10-4-5-11-31(29)45-32/h1-5,8-11,23,27-28,30H,6-7,12-22,24-25H2,(H,37,41)(H,38,43)(H,39,42)/t30-/m1/s1
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0.224n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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0.230n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 1303-11 (1997)


BindingDB Entry DOI: 10.7270/Q2K35S61
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50418024
PNG
(CHEMBL1683146)
Show SMILES O=C(NCC1CCN(CC2CCOCC2)CC1)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc(cc1)-n1cccc1
Show InChI InChI=1/C38H49N5O4/c44-35(32-10-12-33(13-11-32)43-20-6-7-21-43)41-38(18-4-5-19-38)37(46)40-34(26-29-8-2-1-3-9-29)36(45)39-27-30-14-22-42(23-15-30)28-31-16-24-47-25-17-31/h1-3,6-13,20-21,30-31,34H,4-5,14-19,22-28H2,(H,39,45)(H,40,46)(H,41,44)/t34-/s2
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0.234n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor after 30 mins


Bioorg Med Chem Lett 21: 1807-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.074
BindingDB Entry DOI: 10.7270/Q2CN755J
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50476774
PNG
(CHEMBL395971)
Show SMILES Fc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C36H45FN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1
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0.234n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.a.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor


J Med Chem 50: 4793-807 (2007)

More data for this
Ligand-Target Pair
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