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-HDMCBQFHSA-N

Data  4 KI  15 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50079412   

TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetSubstance-K receptor(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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(GUINEA PIG)
Glaxo Group Research

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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Rattus norvegicus (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 DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

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 cells.More data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Rattus norvegicus (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 DepthDetails Article
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataIC50:  10nMAssay Description:Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails Article
TargetNeuromedin-K receptor(Rattus norvegicus)
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 DepthDetails ArticlePubMed
TargetSubstance-K receptor(Rattus norvegicus (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 DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Euroscreen

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 DepthDetails ArticlePubMed
TargetSubstance-K receptor(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 DepthDetails ArticlePubMed
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 DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50079412((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
Affinity DataEC50:  6nMAssay Description:In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(GUINEA PIG)
Glaxo Group Research

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 DepthDetails Article
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 DepthDetails Article