BDBM50016424 CHEMBL216677::N-(2-Amino-1-benzyl-ethyl)-3-{2-[2-{[9-tert-butoxycarbonylamino-3-butyl-2,5,8,11-tetraoxo-6-(4-sulfooxy-benzyl)-1,4,7,12tetraaza-cycloheptadecane-17-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid

SMILES CCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)CC(NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CN)Cc1ccccc1

InChI Key InChIKey=CLMAOBLWXNBDMB-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50016424   

LigandPNGBDBM50016424(N-(2-Amino-1-benzyl-ethyl)-3-{2-[2-{[9-tert-butoxy...)
Affinity DataKi:  120nMAssay 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
TargetCholecystokinin receptor type A(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50016424(N-(2-Amino-1-benzyl-ethyl)-3-{2-[2-{[9-tert-butoxy...)
Affinity DataKi:  1.50E+3nMAssay 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