BDBM50321605 (6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-27-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-9-benzyl-24-butyl-18-(3-guanidinopropyl)-1-(4-hydroxy-2,6-dimethylphenyl)-6-methyl-15-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25-octaoxo-3,5,8,11,14,17,20,23,26-nonaazanonacosan-29-oic acid::CHEMBL1172428

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](Cc1ccccc1)NC(=O)[C@@H](C)NC(=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=JMDKMESJXNSGPX-UHFFFAOYSA-N

Data  4 KI  6 IC50

  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 10 hits for monomerid = 50321605   

TargetCholecystokinin receptor type A(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataIC50: 0.794nMAssay 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
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataKi:  3.70nMAssay 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
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataKi:  4.90nMAssay 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
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataIC50: 10nMAssay 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
TargetMu-type opioid receptor(Guinea pig)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataIC50: 66nMAssay 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
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataIC50: 110nMAssay 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
TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataKi:  180nMAssay 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
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataKi:  180nMAssay 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
TargetMelanocortin receptor 4(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataIC50: 501nMAssay 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
LigandPNGBDBM50321605((6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5...)
Affinity DataIC50: 501nMAssay 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