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BDBM50052524 (S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethyl]-methyl-carbamoyl}-2-phenyl-ethyl)-3-(3-carboxy-propionylamino)-succinamic acid::CHEMBL106124::senktide

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O

InChI Key: InChIKey=HMHYXLVEFVGOPM-QKUYTOGTSA-N

Data: 3 KI  8 IC50  7 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50052524   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [125I]NKA from human NK2R expressed in CHO cell membranes after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)


J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting


J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect


J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at rat NK3R


J Med Chem 57: 8646-51 (2014)


Article DOI: 10.1021/jm500771w
BindingDB Entry DOI: 10.7270/Q2W66NCT
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells


Bioorg Med Chem Lett 8: 1343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QV3N16
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 4: 1679-1684 (1994)


Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 1 in human lymphoma IM9 cells labeled with [125I]Bolton-Hunter substance P


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand


Bioorg Med Chem Lett 5: 1773-1778 (1995)


Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Rattus norvegicus (Rat))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a>2.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)


J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells


Bioorg Med Chem Lett 8: 1343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QV3N16
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
PDB
MMDB

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B.MOAD
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n/an/an/an/a 3.50E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)


J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair