BDBM50291328 CHEMBL412740::Neurokinin A derivative

SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(NC(=S)Cc2ccccc2)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCS)C(N)=O

InChI Key InChIKey=RLACOHQKGYIIBK-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50291328   

TargetSubstance-K receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50291328(Neurokinin A derivative | CHEMBL412740)
Affinity DataIC50: 53nMAssay Description:Tested for the binding affinity to human NK2 receptor expressed in Sf-9 insect larval cells using 0.1 nM 2-[125 I] iodohistidyl neurokinin AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article