BDBM50016422 3-{[9-[2-Amino-3-(4-sulfooxy-phenyl)-propionylamino]-3-(1H-indol-3-ylmethyl)-2,5,8,11-tetraoxo-1,4,7,12tetraaza-cycloheptadecane-17-carbonyl]-amino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL439699

SMILES N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=GETLOJSTWXWZRI-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50016422   

TargetCholecystokinin receptor type A(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50016422(CHEMBL439699 | 3-{[9-[2-Amino-3-(4-sulfooxy-phenyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50016422(CHEMBL439699 | 3-{[9-[2-Amino-3-(4-sulfooxy-phenyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed