BDBM50128523 CHEMBL3628613

SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)CCCCCN=[N+]=[N-])C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CS[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc(O)cc3)NC2=O)C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

InChI Key InChIKey=HWRJPKRFDYQTMY-JMDIYLTGSA-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 = 50128523   

TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Tokyo Medical And Dental University

Curated by ChEMBL
LigandPNGBDBM50128523(CHEMBL3628613)
Affinity DataIC50:  86nMAssay Description:Displacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed