BDBM221876 US9314468, Table 8, Compound 14::US9314468, Table 9, Compound 13

SMILES OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12

InChI Key InChIKey=PLCLLBVMKOLHCX-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 221876   

TargetC-X-C chemokine receptor type 4(Human)
Altiris Therapeutics

US Patent
LigandPNGBDBM221876(US9314468, Table 8, Compound 14 | US9314468, Table...)
Affinity DataIC50: 12nMAssay Description:This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/10/2017
Entry Details
US Patent

TargetC-X-C chemokine receptor type 4(Human)
Altiris Therapeutics

US Patent
LigandPNGBDBM221876(US9314468, Table 8, Compound 14 | US9314468, Table...)
Affinity DataIC50: 56nMT: 2°CAssay Description:Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/10/2017
Entry Details
US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Altiris Therapeutics

US Patent
LigandPNGBDBM221876(US9314468, Table 8, Compound 14 | US9314468, Table...)
Affinity DataIC50: 2.40E+3nMT: 2°CAssay Description:The in vitro effects of the selected compounds on the hERG (human ether- -go-go-related gene) potassium channel current (a surrogate for IKr, the rap...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/10/2017
Entry Details
US Patent