BDBM50202112 (3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)propanamido]hexanamido]-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}propanoic acid::CHEMBL407198

SMILES CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)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=NXHWDEQNHXTHJU-UHFFFAOYSA-N

Data  5 KI  5 IC50  2 EC50

  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 12 hits for monomerid = 50202112   

TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataIC50: 4.60nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataEC50:  9.40nMAssay Description:Activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataIC50: 4.99nMAssay Description:Displacement of [125I]CCK8-SO3 from human CCK1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataIC50: 3.20nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataEC50:  96nMAssay Description:Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataIC50: 26nMAssay Description:Activity at delta opioid receptor in ICR mouse by MVD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataIC50: 81nMAssay Description:Activity at mu opioid receptor assessed as contraction of electrically-stimulated Hartley guinea pig ileumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataKi:  0.5nMAssay Description:Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataKi:  9.30E+3nMAssay Description:Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
Affinity DataKi:  9.30E+3nMAssay Description:Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50202112((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed