BDBM50202108 (3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanehydrazido]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-[(2S)-2-[(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-2-yl)propanamido]hexanamido]propanoic acid::CHEMBL414087

SMILES CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key InChIKey=STEAMACHIRWBBH-RXFVQNAMSA-N

Data  4 KI  5 IC50  3 EC50

  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 12 hits for monomerid = 50202108   

TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataKi:  31nMAssay Description:Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataKi:  45nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in 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
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]CCK8-SO3 from human CCK1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataEC50:  210nMAssay Description:Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataEC50:  16nMAssay Description:Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataIC50:  24nMAssay Description:Activity at delta opioid receptor in ICR mouse by MVD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataIC50:  460nMAssay Description:Activity at mu opioid receptor assessed as contraction of electrically-stimulated Hartley guinea pig ileumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataIC50:  16nMAssay Description:Activity at human CCK2 receptor expressed in HEK293 cells assessed as level of [3H]inositol produced relative to controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataIC50:  4.45nMAssay Description:Displacement of [125I]CCK8-SO3 from human CCK1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataIC50:  65nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50202108((3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataEC50:  74nMAssay Description:Activity at human delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed