BDBM50240845 (S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::2-{(S)-2-[2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-(S)-methyl-pentanoic acid::CHEMBL342252::Neurotensin(8-13)

SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key InChIKey=DQDBCHHEIKQPJD-CSJNAZMVSA-N

Data  9 KI  6 IC50  2 Kd  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50240845   

TargetNeurotensin receptor type 1(MOUSE)
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  0.0180nMAssay Description:Binding affinity to NTR1 in mouse brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(MOUSE)
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  0.0180nMAssay Description:Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)More data for this Ligand-Target Pair
In DepthDetails Article
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  0.140nMAssay Description:Binding affinity to human NTR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  0.270nMAssay Description:In vitro inhibition of [3H]NT binding to porcine striatal Neurotensin receptor 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  0.290nMAssay Description:Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(MOUSE)
Friedrich-Alexander University

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  0.520nMAssay Description:Binding affinity for Neurotensin ReceptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  0.630nMAssay Description:Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  1.05nMAssay Description:Displacement of [125I]I-Tyr(3)NT from human NTR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 2(Rattus norvegicus)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKi:  33nMAssay Description:Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Rattus norvegicus)
Instituto De Qu£Mica M£Dica (Csic)

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataIC50:  10nMAssay Description:IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 2(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataIC50:  2.70nMAssay Description:Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataIC50:  0.300nMAssay Description:Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSortilin(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataIC50:  640nMAssay Description:Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataEC50:  1nMAssay Description:Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKd:  0.160nMAssay Description:In vitro inhibition of [3H]-NT binding to human striatal Neurotensin receptor 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Rattus norvegicus)
Instituto De Qu£Mica M£Dica (Csic)

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataEC50:  0.0100nMAssay Description:Agonist activity at rat NTS1 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataKd:  0.630nMAssay Description:Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 2(Rattus norvegicus)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataIC50:  5.40nMAssay Description:Antagonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240845((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Affinity DataIC50:  1.40nMAssay Description:Displacement of [125I]I-Tyr(3)NT from human NTR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed