BDBM50166106 CHEMBL436283::N-{3-[(2S,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::cyclo(-D-Tyr-Arg-Arg-Nal-Gly-)

SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O

InChI Key InChIKey=MBXBICVKLVYNKD-XFTNXAEASA-N

Data  7 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 9 hits for monomerid = 50166106   

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

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataIC50:  8.40nMAssay 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 DepthDetails ArticlePubMed
TargetAtypical chemokine receptor 3(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAtypical chemokine receptor 3(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataEC50:  2.40E+3nMAssay Description:Agonist activity at CXCR7 (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataIC50:  126nMAssay Description:Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataIC50:  4nMAssay Description:Inhibition of CXCR4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataIC50:  35nMAssay Description:Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataIC50:  84nMAssay Description:Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAtypical chemokine receptor 3(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50166106(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)
Affinity DataEC50:  2.40E+3nMAssay Description:Agonist activity at CXCR7 (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed