BDBM50606413 CHEMBL5208869

SMILES C[C@H](NC(=O)[C@@H](NC(=O)CCN1CCC(Oc2ccccc2Cc2ccccc2)CC1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)C(N)=O

InChI Key InChIKey=XZZUTRSAZIHROT-UHFFFAOYSA-N

Data  2 Kd

  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 = 50606413   

TargetHistamine H1 receptor(Human)
University of Nottingham Biodiscovery Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50606413BDBM50606413(CHEMBL5208869)
Affinity DataKd:  5.90nMAssay Description:Binding affinity to NLuc-tagged human H1R expressed in HEK293T cells using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetHistamine H1 receptor(Human)
University of Nottingham Biodiscovery Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50606413BDBM50606413(CHEMBL5208869)
Affinity DataKd:  6nMAssay Description:Binding affinity to NLuc-tagged human H1R expressed in HEK293T cells using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed