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Compile Data Set for Download or QSAR

Found 1468 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
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=1S/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-/m0/s1
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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
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
Substance-K receptor


(Homo sapiens (Human))
BDBM50415966
PNG
(CHEMBL1083974)
Show SMILES N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1S/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-/m0/s1
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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))
BDBM50415954
PNG
(CHEMBL1083858)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCN1CCN(CC1)C1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/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-/m0/s1
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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


(mouse)
BDBM50212987
PNG
(CHEMBL2110370 | GR-159897)
Show SMILES COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/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-/m1/s1
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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
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=1S/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-/m0/s1
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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
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))
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=1S/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-/m0/s1
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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))
BDBM50415949
PNG
(CHEMBL1083863)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1S/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-/m0/s1
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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))
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))
BDBM50415939
PNG
(CHEMBL1083874)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccsc2)CC1)Cc1ccccc1
Show InChI InChI=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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))
BDBM50415938
PNG
(CHEMBL1083875)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccoc2)CC1)Cc1ccccc1
Show InChI InChI=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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


(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
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=1S/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

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=1S/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-/m0/s1
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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
Substance-K receptor


(Homo sapiens (Human))
BDBM50415941
PNG
(CHEMBL1083872)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccncc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C37H45N5O2S/c1-28-11-12-31-26-34(45-33(31)24-28)35(43)40-37(15-5-6-16-37)36(44)39-32(25-29-8-3-2-4-9-29)10-7-19-41-20-22-42(23-21-41)27-30-13-17-38-18-14-30/h2-4,8-9,11-14,17-18,24,26,32H,5-7,10,15-16,19-23,25,27H2,1H3,(H,39,44)(H,40,43)/t32-/m0/s1
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0.251n/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))
BDBM50415968
PNG
(CHEMBL1083846)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1S/C36H47ClN4O4/c37-30-10-11-32-29(24-30)25-33(45-32)34(42)39-36(14-4-5-15-36)35(43)38-31(23-27-7-2-1-3-8-27)9-6-16-40-17-19-41(20-18-40)26-28-12-21-44-22-13-28/h1-3,7-8,10-11,24-25,28,31H,4-6,9,12-23,26H2,(H,38,43)(H,39,42)/t31-/m0/s1
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0.251n/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))
BDBM50415960
PNG
(CHEMBL1083849)
Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1cc2ccccc2s1
Show InChI InChI=1S/C36H48N4O3S/c41-34(33-26-30-11-4-5-13-32(30)44-33)38-36(16-6-7-17-36)35(42)37-31(25-28-9-2-1-3-10-28)12-8-18-39-19-21-40(22-20-39)27-29-14-23-43-24-15-29/h1-5,9-11,13,26,29,31H,6-8,12,14-25,27H2,(H,37,42)(H,38,41)/t31-/m0/s1
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0.251n/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))
BDBM50415946
PNG
(CHEMBL1083866)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C36H48N4O3S/c1-27-11-12-29-26-33(44-32(29)24-27)34(41)38-36(15-5-6-16-36)35(42)37-30(25-28-8-3-2-4-9-28)10-7-17-39-18-20-40(21-19-39)31-13-22-43-23-14-31/h2-4,8-9,11-12,24,26,30-31H,5-7,10,13-23,25H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1
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0.251n/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


(GUINEA PIG)
BDBM50116074
PNG
(CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding to Tachykinin receptor 1


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
TACR2


(mouse)
BDBM50281767
PNG
(Acetic acid 1-{3-(3,4-dichloro-phenyl)-4-[ethyl-(t...)
Show SMILES CCN(CC(CCN1CCC(CC1)(OC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C30H34Cl2N2O3S/c1-3-34(29(36)28-10-7-19-38-28)21-24(23-11-12-26(31)27(32)20-23)13-16-33-17-14-30(15-18-33,37-22(2)35)25-8-5-4-6-9-25/h4-12,19-20,24H,3,13-18,21H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Bioorg Med Chem Lett 3: 925-930 (1993)


Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(GUINEA PIG)
BDBM50116091
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-/m0/s1
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0.300n/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
Neurokinin 2 receptor


(GUINEA PIG)
BDBM50116082
PNG
(3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m1/s1
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0.300n/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
Neurokinin 2 receptor


(GUINEA PIG)
BDBM50116076
PNG
(CHEMBL441252 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4'...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m1/s1
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0.300n/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
TACR2


(mouse)
BDBM50281769
PNG
(Acetic acid 1-[4-(benzoyl-methyl-amino)-3-(3,4-dic...)
Show SMILES CN(CC(CCN1CCC(CC1)(OC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H34Cl2N2O3/c1-23(36)38-31(27-11-7-4-8-12-27)16-19-35(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-34(2)30(37)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Bioorg Med Chem Lett 3: 925-930 (1993)


Article DOI: 10.1016/S0960-894X(00)80694-0
BindingDB Entry DOI: 10.7270/Q2N29WW1
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50412318
PNG
(CHEMBL447439 | MEN-15702)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C41H52N4O4/c1-30-9-11-34(12-10-30)35-13-15-36(16-14-35)38(46)44-41(21-5-6-22-41)40(48)43-37(27-31-7-3-2-4-8-31)39(47)42-28-32-17-23-45(24-18-32)29-33-19-25-49-26-20-33/h2-4,7-16,32-33,37H,5-6,17-29H2,1H3,(H,42,47)(H,43,48)(H,44,46)/t37-/m1/s1
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0.316n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 4705-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.102
BindingDB Entry DOI: 10.7270/Q20P118W
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50412318
PNG
(CHEMBL447439 | MEN-15702)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C41H52N4O4/c1-30-9-11-34(12-10-30)35-13-15-36(16-14-35)38(46)44-41(21-5-6-22-41)40(48)43-37(27-31-7-3-2-4-8-31)39(47)42-28-32-17-23-45(24-18-32)29-33-19-25-49-26-20-33/h2-4,7-16,32-33,37H,5-6,17-29H2,1H3,(H,42,47)(H,43,48)(H,44,46)/t37-/m1/s1
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0.316n/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))
BDBM50415933
PNG
(CHEMBL1084160)
Show SMILES CN(C)S(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1
Show InChI InChI=1S/C33H45N5O4S2/c1-25-13-14-27-24-30(43-29(27)22-25)31(39)35-33(15-7-8-16-33)32(40)34-28(23-26-10-5-4-6-11-26)12-9-17-37-18-20-38(21-19-37)44(41,42)36(2)3/h4-6,10-11,13-14,22,24,28H,7-9,12,15-21,23H2,1-3H3,(H,34,40)(H,35,39)/t28-/m0/s1
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0.316n/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))
BDBM50415935
PNG
(CHEMBL1083878)
Show SMILES CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1
Show InChI InChI=1S/C36H50N4O3S/c1-3-43-24-10-19-40-22-20-39(21-23-40)18-9-13-31(26-29-11-5-4-6-12-29)37-35(42)36(16-7-8-17-36)38-34(41)33-27-30-15-14-28(2)25-32(30)44-33/h4-6,11-12,14-15,25,27,31H,3,7-10,13,16-24,26H2,1-2H3,(H,37,42)(H,38,41)/t31-/m0/s1
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0.316n/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))
BDBM50415936
PNG
(CHEMBL1083877)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2nnn(C)n2)CC1)Cc1ccccc1
Show InChI InChI=1S/C34H44N8O2S/c1-25-12-13-27-23-30(45-29(27)21-25)32(43)36-34(14-6-7-15-34)33(44)35-28(22-26-9-4-3-5-10-26)11-8-16-41-17-19-42(20-18-41)24-31-37-39-40(2)38-31/h3-5,9-10,12-13,21,23,28H,6-8,11,14-20,22,24H2,1-2H3,(H,35,44)(H,36,43)/t28-/m0/s1
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0.316n/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))
BDBM50415942
PNG
(CHEMBL1083871)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cccnc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C37H45N5O2S/c1-28-13-14-31-25-34(45-33(31)23-28)35(43)40-37(15-5-6-16-37)36(44)39-32(24-29-9-3-2-4-10-29)12-8-18-41-19-21-42(22-20-41)27-30-11-7-17-38-26-30/h2-4,7,9-11,13-14,17,23,25-26,32H,5-6,8,12,15-16,18-22,24,27H2,1H3,(H,39,44)(H,40,43)/t32-/m0/s1
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0.316n/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))
BDBM50415963
PNG
(CHEMBL1083561)
Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C38H50N4O3/c43-36(34-15-14-32-11-4-5-12-33(32)28-34)40-38(18-6-7-19-38)37(44)39-35(27-30-9-2-1-3-10-30)13-8-20-41-21-23-42(24-22-41)29-31-16-25-45-26-17-31/h1-5,9-12,14-15,28,31,35H,6-8,13,16-27,29H2,(H,39,44)(H,40,43)/t35-/m0/s1
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0.316n/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))
BDBM50415956
PNG
(CHEMBL1083855)
Show SMILES CN(C1CCOCC1)C1CCN(CC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1
Show InChI InChI=1S/C37H50N4O3S/c1-27-10-11-29-26-34(45-33(29)24-27)35(42)39-37(17-6-7-18-37)36(43)38-30(25-28-8-4-3-5-9-28)12-19-41-20-13-31(14-21-41)40(2)32-15-22-44-23-16-32/h3-5,8-11,24,26,30-32H,6-7,12-23,25H2,1-2H3,(H,38,43)(H,39,42)/t30-/m0/s1
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0.316n/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))
BDBM50212987
PNG
(CHEMBL2110370 | GR-159897)
Show SMILES COC1(C[S@@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/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-/m1/s1
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0.316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Tachykinin receptor 2 of human expressed in chinese hamster ovary cells


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


(mouse)
BDBM50097909
PNG
(1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulf...)
Show SMILES OC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1
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0.316n/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
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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0.316n/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))
BDBM50418029
PNG
(CHEMBL1683151)
Show SMILES O=C(NC1(CCCC1)C(=O)N[C@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C38H50N4O3/c43-36(34-15-14-32-11-4-5-12-33(32)28-34)40-38(18-6-7-19-38)37(44)39-35(27-30-9-2-1-3-10-30)13-8-20-41-21-23-42(24-22-41)29-31-16-25-45-26-17-31/h1-5,9-12,14-15,28,31,35H,6-8,13,16-27,29H2,(H,39,44)(H,40,43)/t35-/m1/s1
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0.324n/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
Substance-K receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


Article DOI: 10.1021/jm020094i
BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50415926
PNG
(CHEMBL1084158)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C36H47N5O4S/c1-27-11-12-29-26-32(46-31(29)24-27)33(42)38-36(13-5-6-14-36)34(43)37-30(25-28-8-3-2-4-9-28)10-7-15-39-16-18-40(19-17-39)35(44)41-20-22-45-23-21-41/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,37,43)(H,38,42)/t30-/m0/s1
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0.398n/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))
BDBM50415967
PNG
(CHEMBL1083848)
Show SMILES Cc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1S/C37H50N4O4/c1-28-11-12-33-31(24-28)26-34(45-33)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-/m0/s1
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0.398n/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))
BDBM50415929
PNG
(CHEMBL1083880)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)c1cccn1C)Cc1ccccc1
Show InChI InChI=1S/C37H45N5O3S/c1-27-14-15-29-26-33(46-32(29)24-27)34(43)39-37(16-6-7-17-37)36(45)38-30(25-28-10-4-3-5-11-28)12-8-19-41-20-22-42(23-21-41)35(44)31-13-9-18-40(31)2/h3-5,9-11,13-15,18,24,26,30H,6-8,12,16-17,19-23,25H2,1-2H3,(H,38,45)(H,39,43)/t30-/m0/s1
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0.398n/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))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


BindingDB Entry DOI: 10.7270/Q2862F1R
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=1S/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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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50003000
PNG
(CHEMBL394889)
Show SMILES CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C34H44N4O3S/c1-25-13-8-11-21-38(25)22-12-20-35-31(39)28(23-26-14-4-2-5-15-26)36-33(41)34(18-9-3-10-19-34)37-32(40)30-24-27-16-6-7-17-29(27)42-30/h2,4-7,14-17,24-25,28H,3,8-13,18-23H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25?,28-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Menarini Ricerche SpA

Curated by ChEMBL


Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells


Bioorg Med Chem Lett 17: 4841-4 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(GUINEA PIG)
BDBM50116080
PNG
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m1/s1
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0.400n/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))
BDBM50116736
PNG
(CHEMBL74956 | N-{(R)-5-{4-[3-(1-Carbamoyl-1-methyl...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)C(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H42Cl4N6O4/c1-33(2,31(38)45)43-12-5-11-42(32(43)46)25-8-13-41(14-9-25)15-10-26(21-6-7-27(36)28(37)18-21)29(39-47-4)20-40(3)30(44)22-16-23(34)19-24(35)17-22/h6-7,16-19,25-26H,5,8-15,20H2,1-4H3,(H2,38,45)/b39-29+/t26-/m1/s1
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0.400n/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


(GUINEA PIG)
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.400n/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
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