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PubMed code 8388471

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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-P receptor


(Homo sapiens (Human))
BDBM50045033
PNG
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)
Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50045040
PNG
(CHEMBL296267 | CHEMBL3144343 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)
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n/an/a 17n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50045036
PNG
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1
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n/an/a 21n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-1 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50045039
PNG
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1
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n/an/a 34n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


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


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50045036
PNG
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1
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n/an/a 45n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-2 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50045039
PNG
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1
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n/an/a 46n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-2 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50045040
PNG
(CHEMBL296267 | CHEMBL3144343 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)
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n/an/a 54n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


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


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50045037
PNG
(CHEMBL295073 | CHEMBL3144352 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49)
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n/an/a 65n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045037
PNG
(CHEMBL295073 | CHEMBL3144352 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49)
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n/an/a 65n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50045032
PNG
(CHEMBL296441 | CHEMBL3144353 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)
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n/an/a 79n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50045035
PNG
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)
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n/an/a 85n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


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


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50045033
PNG
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)
Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50045032
PNG
(CHEMBL296441 | CHEMBL3144353 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)
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n/an/a 127n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


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


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50045035
PNG
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)
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n/an/a 129n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-2 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045040
PNG
(CHEMBL296267 | CHEMBL3144343 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)
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n/an/a 142n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50045037
PNG
(CHEMBL295073 | CHEMBL3144352 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49)
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n/an/a 165n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


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


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045036
PNG
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1
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n/an/a 188n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045039
PNG
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1
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n/an/a 244n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045035
PNG
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)
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n/an/a 388n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045032
PNG
(CHEMBL296441 | CHEMBL3144353 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)
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n/an/a 489n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045033
PNG
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)
Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1
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n/an/a 824n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for the binding affinity against rat neurokinin-2 (NK-2) receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50045036
PNG
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-1 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50045039
PNG
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1
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n/an/a 3.14E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-1 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50045033
PNG
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)
Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for the binding affinity against rat neurokinin-1 (NK-1) receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50045037
PNG
(CHEMBL295073 | CHEMBL3144352 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50045040
PNG
(CHEMBL296267 | CHEMBL3144343 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50045035
PNG
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-1 receptor


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50045032
PNG
(CHEMBL296441 | CHEMBL3144353 | N-Benzyl-2-[2-[2-(3...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand


J Med Chem 36: 1654-61 (1993)


Article DOI: 10.1021/jm00063a015
BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%