BDBM50166087 CHEMBL436097::N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine

SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

InChI Key InChIKey=MBXBICVKLVYNKD-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 = 50166087   

TargetC-X-C chemokine receptor type 4(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166087(N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-...)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166087(N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-...)
Affinity DataIC50: 8nMAssay Description:Inhibition of CXCR4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166087(N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-...)
Affinity DataEC50:  520nMAssay Description:Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166087(N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-...)
Affinity DataEC50:  525nMAssay Description:Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2016
Entry Details Article
PubMed