BDBM21132 (3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-(1H-indol-3-yl)-N-methylpropanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid::CCK-Opioid Peptide, 2::Tyr-D-Ala-Gly-Trp-NMeNle-Asp-Phe-NH2

SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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=LFIFGNCFEBAIHA-XSAWFYHVSA-N

Data  4 KI  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 4 hits for monomerid = 21132   

TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
University Of Arizona Tucson

LigandPNGBDBM21132((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Affinity DataKi:  1.60nM EC50:  4.60nMAssay 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 ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona Tucson

LigandPNGBDBM21132((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Affinity DataKi:  2.20nM ΔG°:  -11.8kcal/mole EC50:  120nMpH: 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 ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona Tucson

LigandPNGBDBM21132((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Affinity DataKi:  39nM ΔG°:  -10.1kcal/mole EC50:  18nMpH: 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 ArticlePubMed
TargetCholecystokinin receptor type A(Homo sapiens (Human))
University Of Arizona Tucson

LigandPNGBDBM21132((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Affinity DataKi:  5.10E+3nMAssay 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 ArticlePubMed