BDBM50079412 (NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2::Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2::Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2(Neurokinin B)::CHEMBL437797::NKB::Neurokinin B

SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O

InChI Key InChIKey=NHXYSAFTNPANFK-UHFFFAOYSA-N

Data  4 KI  15 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50079412   

TargetSubstance-P receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 69nMAssay Description:Binding affinity towards Tachykinin receptor 1 in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetNeuromedin-K receptor(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataEC50:  6nMAssay Description:Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetSubstance-K receptor(Human)
Creighton University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 102nMAssay Description:Inhibitory activity against human Tachykinin receptor 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2012
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 76nMAssay Description:Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 98nMAssay Description:Inhibitory activity against Tachykinin receptor 1 in human lymphoma IM9 cells labeled with [125 I] Bolton-Hunter substance PMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 2nMAssay Description:Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed
TargetSubstance-K receptor(Rat)
Glaxo Group Research

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataEC50:  27nMAssay Description:In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Rat)
Glaxo Group Research

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataEC50:  6.30nMAssay Description:In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 10nMAssay Description:Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2012
Entry Details Article

TargetNeuromedin-K receptor(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 10nMAssay Description:Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetNeuromedin-K receptor(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 3nMAssay Description:Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetSubstance-P receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 13nMAssay Description:Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetSubstance-P receptor(Human)
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 98nMAssay Description:Inhibitory activity against binding of [125I]Bolton-Hunter SP to tachykinin NK-1 receptor in human lymphoma IM9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetSubstance-P receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 870nMAssay Description:Tested for inhibition of tachykinin 1 (NK1) receptor in rat brain synaptosomal membranes using [125I]BH-SP as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetSubstance-P receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataEC50:  68nMAssay Description:In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSubstance-K receptor(Golden hamster)
Marion Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 18nMAssay Description:Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSubstance-K receptor(Golden hamster)
Marion Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 3.60nMAssay Description:Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Guinea pig)
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 2nMAssay Description:Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Guinea pig)
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50: 10nMAssay Description:Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetNeuromedin-K receptor(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataKi:  0.794nMAssay Description:Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetSubstance-K receptor(Human)
Creighton University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataKi:  16nMAssay Description:Displacement of [125I]NKA from human NK2R expressed in CHO cell membranes after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetSubstance-K receptor(Human)
Creighton University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataKi:  42nMAssay Description:The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2012
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataKi:  501nMAssay Description:Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed