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Compile Data Set for Download or QSAR

Found 881 hits Enz. Inhib. hit(s) with Target = 'Neurokinin 2 receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurokinin 2 receptor


(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


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


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


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


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


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


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


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


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


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


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


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

More data for this
Ligand-Target Pair
Neurokinin 2 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)

More data for this
Ligand-Target Pair
Neurokinin 2 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


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


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


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


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


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


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


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


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


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


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


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


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


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


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

More data for this
Ligand-Target Pair
Neurokinin 2 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


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


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


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

More data for this
Ligand-Target Pair
Neurokinin 2 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


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Neurokinin 2 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)

More data for this
Ligand-Target Pair
Neurokinin 2 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)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50116717
PNG
(3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CNC(=O)C[C@H]1CCCN(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 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)

More data for this
Ligand-Target Pair
Neurokinin 2 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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0.440n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM81942
PNG
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)
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0.480n/an/an/an/an/an/an/an/a



Sanofi-Synthélabo Recherche

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50071484
PNG
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)
Show SMILES CN(C[C@@H](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)/t26-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 2 in CHO cells using [3H]-neurokinin A as radioligand


Bioorg Med Chem Lett 10: 2329-32 (2001)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50116726
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl4N6O3/c1-41(33(45)24-18-25(35)21-26(36)19-24)22-31(40-47-2)28(23-7-8-29(37)30(38)20-23)11-17-42-15-9-27(10-16-42)43-13-5-14-44(34(43)46)32-6-3-4-12-39-32/h3-4,6-8,12,18-21,27-28H,5,9-11,13-17,22H2,1-2H3/b40-31+/t28-/m1/s1
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0.5n/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)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50116722
PNG
(CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1
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0.5n/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)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50110653
PNG
(3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...)
Show SMILES CN(C\C(=N/OCC(=N)NO)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C31H38Cl4N6O4/c1-39(31(43)21-14-22(32)17-23(33)15-21)18-28(38-45-19-29(36)37-44)25(20-5-6-26(34)27(35)16-20)9-13-40-11-7-24(8-12-40)41-10-3-2-4-30(41)42/h5-6,14-17,24-25,44H,2-4,7-13,18-19H2,1H3,(H2,36,37)/b38-28+/t25-/m1/s1
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0.5n/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 a radioligand


Bioorg Med Chem Lett 12: 833-6 (2002)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50116732
PNG
(3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...)
Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1
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0.5n/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)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50415927
PNG
(CHEMBL1084159)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)S(=O)(=O)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C35H47N5O5S2/c1-27-11-12-29-26-32(46-31(29)24-27)33(41)37-35(13-5-6-14-35)34(42)36-30(25-28-8-3-2-4-9-28)10-7-15-38-16-18-39(19-17-38)47(43,44)40-20-22-45-23-21-40/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,36,42)(H,37,41)/t30-/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50415969
PNG
(CHEMBL1083560)
Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C40H52N4O3/c45-38(36-17-15-35(16-18-36)34-12-5-2-6-13-34)42-40(21-7-8-22-40)39(46)41-37(30-32-10-3-1-4-11-32)14-9-23-43-24-26-44(27-25-43)31-33-19-28-47-29-20-33/h1-6,10-13,15-18,33,37H,7-9,14,19-31H2,(H,41,46)(H,42,45)/t37-/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50415951
PNG
(CHEMBL1083861)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)\C=C\CN1CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C37H48N4O3S/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/h2-4,7-12,24,26,30,32H,5-6,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/b10-7+/t32-/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50415947
PNG
(CHEMBL1083865)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](COCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1
Show InChI InChI=1S/C38H51N3O4S/c1-28-9-10-32-25-35(46-34(32)23-28)36(42)40-38(16-5-6-17-38)37(43)39-33(24-30-7-3-2-4-8-30)27-45-22-13-29-11-18-41(19-12-29)26-31-14-20-44-21-15-31/h2-4,7-10,23,25,29,31,33H,5-6,11-22,24,26-27H2,1H3,(H,39,43)(H,40,42)/t33-/m1/s1
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0.501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50415957
PNG
(CHEMBL1083854)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCC(CC1)N1CCOCC1)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)10-7-17-39-18-13-31(14-19-39)40-20-22-43-23-21-40/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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0.501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50415932
PNG
(CHEMBL1084162)
Show SMILES CC(C)S(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1
Show InChI InChI=1S/C34H46N4O4S2/c1-25(2)44(41,42)38-20-18-37(19-21-38)17-9-12-29(23-27-10-5-4-6-11-27)35-33(40)34(15-7-8-16-34)36-32(39)31-24-28-14-13-26(3)22-30(28)43-31/h4-6,10-11,13-14,22,24-25,29H,7-9,12,15-21,23H2,1-3H3,(H,35,40)(H,36,39)/t29-/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50099628
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C35H46N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h3,7-10,15-18,26-27,29H,2,4-6,11-14,19-25H2,1H3,(H,36,40)/t26-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)

More data for this
Ligand-Target Pair
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