BDBM50321604 (3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazol-5-yl)methyl)-9-((1H-indol-3-yl)methyl)-27-amino-3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-21-benzyl-6-butyl-12-(3-guanidinopropyl)-28-(4-hydroxyphenyl)-24-methyl-15-(naphthalen-2-ylmethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazaoctacosan-1-oic acid::CHEMBL1172429

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)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=NENKRICCIWXRGU-KGPNUUHGSA-N

Data  7 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50321604   

TargetCholecystokinin receptor type A(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK1 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK1 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataKi:  42nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataKi:  190nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataKi:  190nMAssay Description:Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataKi:  250nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataKi:  250nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataIC50:  370nMAssay 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 DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataIC50:  2.30E+3nMAssay 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 DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataIC50:  631nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50321604((3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazo...)
Affinity DataIC50:  631nMAssay Description:Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed