BDBM50321597 (3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl)-12-((1H-indol-3-yl)methyl)-18-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-1-((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)-15-butyl-9-(3-guanidinopropyl)-6-(naphthalen-2-ylmethyl)-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazaicosan-20-oic acid::CHEMBL1172249

SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=TVINVHGLLFLSBP-UHFFFAOYSA-N

Data  3 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50321597   

TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 13nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataKi:  32nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK1 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 32nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK1 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 40nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataKi:  100nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 126nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 130nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 160nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 160nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321597((3S,6R,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl...)
Affinity DataIC50: 570nMAssay Description:Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed