BDBM50215379 (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12S,15S)-3-(4-aminobutyl)-6-benzyl-9-(carboxymethyl)-15-(1H-indol-3-ylmethyl)-12-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexaazacyclononadecan-18-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-[4-(sulfooxy)phenyl]ethyl]carbamoyl}propanoic acid::CHEMBL396602

SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NC1CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O

InChI Key InChIKey=SQRDCEUPOKYEHZ-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50215379   

TargetCholecystokinin receptor type A(Human)
Istituto Di Biostrutture E Bioimmagini-Cnr

Curated by ChEMBL
LigandPNGBDBM50215379((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12S,1...)
Affinity DataIC50: 1.50E+4nMAssay Description:Displacement of [111In]DTPA-Glu-Gly-[Tyr27(SO3H)]-CCK8 from human CCK1 receptor expressed in A431 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed