BDBM50321600 (S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-2-yl)methyl)-18-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-9-(4-chlorobenzyl)-6-(3-guanidinopropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,21-heptaazacyclohexacosane-26-carboxamido)-4-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid::CHEMBL1172246

SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=YCEIOOXEUSAMIZ-UHFFFAOYSA-N

Data  3 KI  6 IC50

  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 9 hits for monomerid = 50321600   

TargetMelanocortin receptor 4(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataIC50: 32nMAssay 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
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataIC50: 32nMAssay 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
TargetCholecystokinin receptor type A(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataIC50: 126nMAssay 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
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataKi:  560nMAssay 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
TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataKi:  930nMAssay 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
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataIC50: 1.00E+3nMAssay 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
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataKi:  2.10E+3nMAssay 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
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataIC50: 2.51E+3nMAssay 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
LigandPNGBDBM50321600((S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-y...)
Affinity DataIC50: 3.98E+3nMAssay 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