BDBM94074 2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide::2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide::MLS002320129::N-benzyl-2-[(2S,6S,8E,12S)-12-(4-fluorobenzyl)-5,13-diketo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide::N-benzyl-2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide::SMR001337754::cid_44201662

SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1

InChI Key InChIKey=XLVFAOACBLRJTI-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 = 94074   

TargetC-X-C chemokine receptor type 5(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM94074(N-benzyl-2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)met...)
Affinity DataIC50: 1.45E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay