null

SMILES C(Nc1ccccn1)c1ccc(CNc2ccccn2)cc1

InChI Key InChIKey=KBVFRXIGQQRMEF-UHFFFAOYSA-N

  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 4 hits for monomerid = 50225415   

TargetC-X-C chemokine receptor type 4(Rattus norvegicus (Rat))
Emory University

US Patent
LigandPNGBDBM50225415(CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FF3R5MUS Patent
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Calabria

Curated by ChEMBL
LigandPNGBDBM50225415(CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...)copy SMILEScopy InChI
Affinity DataIC50: 0.300nMAssay Description:Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhod...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21J9D9VPubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Calabria

Curated by ChEMBL
LigandPNGBDBM50225415(CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...)copy SMILEScopy InChI
Affinity DataIC50: 1.80nMAssay Description:Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated fo...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PK0GH6PubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
University of Calabria

Curated by ChEMBL
LigandPNGBDBM50225415(CHEMBL237830 | N,N'-di-2-pyridinyl-1,4-benzenedime...)copy SMILEScopy InChI
Affinity DataEC50:  0.300nMAssay Description:Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X066RMPubMed