BDBM21136 (3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-(1H-indol-3-yl)-N-methylpropanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid::CCK-Opioid Peptide, 6::CHEMBL336381::Tyr-Gly-Gly-Trp-NMeNle-Asp-Phe-NH2

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

Data  7 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 8 hits for monomerid = 21136   

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

Curated by ChEMBL
LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Affinity DataKi:  4.80nM EC50:  32nMAssay 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

LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Affinity DataKi:  85nM ΔG°:  -9.64kcal/mole EC50:  76nMpH: 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

LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Affinity DataKi:  240nM ΔG°:  -9.02kcal/mole EC50:  2nMpH: 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(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Affinity DataKi:  610nMAssay Description:Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Affinity DataKi:  870nMAssay Description:Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona Tucson

LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Affinity DataKi:  2.00E+3nMAssay Description:Binding affinity towards Opioid receptor delta 1 was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM21136((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
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 ArticlePubMed