BDBM50215380 (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12S)-3-benzyl-6-(carboxymethyl)-12-(1H-indol-3-ylmethyl)-9-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,18-hexaoxo-1,4,7,10,13,17-hexaazacycloicosan-15-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-[4-(sulfooxy)phenyl]ethyl]carbamoyl}propanoic acid::CHEMBL393638

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)CCNC(=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=KCJMELOJLDXZPW-XJUDSVOASA-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 = 50215380   

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

Curated by ChEMBL
LigandPNGBDBM50215380((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12S)-...)
Affinity DataIC50:  2.67E+4nMAssay Description:Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed