BDBM21133 (3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)-N-methylpropanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid::CCK-Opioid Peptide, 3::Tyr-D-Nle-Gly-Trp-NMeNle-Asp-Phe-NH2

SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=KJQHRGYUFQCLJG-UHFFFAOYSA-N

Data  3 KI  3 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 4 hits for monomerid = 21133   

TargetCholecystokinin receptor type A(Human)
University of Arizona Tucson

LigandPNGBDBM21133(Tyr-D-Nle-Gly-Trp-NMeNle-Asp-Phe-NH2 | (3S)-3-[(2S...)
Affinity DataAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona Tucson

LigandPNGBDBM21133(Tyr-D-Nle-Gly-Trp-NMeNle-Asp-Phe-NH2 | (3S)-3-[(2S...)
Affinity DataKi:  2nM ΔG°:  -11.9kcal/mole EC50:  15nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
University of Arizona Tucson

LigandPNGBDBM21133(Tyr-D-Nle-Gly-Trp-NMeNle-Asp-Phe-NH2 | (3S)-3-[(2S...)
Affinity DataKi:  3.80nM EC50:  19nMAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona Tucson

LigandPNGBDBM21133(Tyr-D-Nle-Gly-Trp-NMeNle-Asp-Phe-NH2 | (3S)-3-[(2S...)
Affinity DataKi:  25nM ΔG°:  -10.4kcal/mole EC50:  110nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed