BDBM26349 (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]butanediamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxyethyl]butanediamide::CHEMBL376756::Kisspeptin-10

SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=RITKWYDZSSQNJI-INXYWQKQSA-N

Data  3 KI  7 IC50  3 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 13 hits for monomerid = 26349   

TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataKi:  0.0390nMAssay Description:Binding affinity to human KISS1R expressed in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Rattus norvegicus)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataKi:  0.0570nMAssay Description:Binding affinity to rat KISS1RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [125]metastin from metastin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuropeptide FF receptor 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataIC50:  76nMAssay Description:Displacement of (D-[125I]Tyr1, MePhe3)-NPFF from NPFFR2 after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataIC50:  0.0820nMAssay Description:Binding affinity to human KISS1RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Rattus norvegicus)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataIC50:  0.110nMAssay Description:Binding affinity to rat KISS1RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataIC50:  0.120nMAssay Description:Displacement of [125I]kisspeptin-15 from GPR54More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataEC50:  0.0650nMAssay Description:Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuropeptide FF receptor 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataIC50:  4.70nMAssay Description:Displacement of (D-[125I]Tyr1, MePhe3)-NPFF from NPFFR1 after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataIC50:  8.51E+3nMAssay Description:Inhibition of human KISS1R expressed in CHO cells assessed as inhibition of KISS1R-mediated cell growth after 4 days by cell counting kit-8 assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataEC50:  17.3nMAssay Description:Activity at metastin receptor expressed in HEK293 cells by measuring calcium releaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataIC50:  0.120nMpH: 7.3 T: 2°CAssay Description:Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were dilut...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKiSS-1 receptor(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM26349((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyp...)
Affinity DataEC50:  0.0490nMAssay Description:Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed