BDBM313991 US10167299, Example 43

SMILES CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1

InChI Key InChIKey=XADGEXPZZCPUIH-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 313991   

TargetC-C chemokine receptor type 5(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM313991(US10167299, Example 43)
Affinity DataIC50: 8.34nMAssay Description:1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
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TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shanghai Institute of Material Medica, Chinese Academy of Sciences

US Patent
LigandPNGBDBM313991(US10167299, Example 43)
Affinity DataIC50: 1.36E+3nMAssay Description:1. CHO-hERG cells which have been incubated overnight were added with sample buffer and incubated for 90 minutes at room temperature in darkness.2. T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
Go to US Patent