BDBM50485934 CHEMBL2179464

SMILES Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](Cc9cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)c9)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](Cc9cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)c9)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O

InChI Key InChIKey=DNTVSZXSDAOSIM-UHFFFAOYSA-Z

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50485934   

TargetC-X-C chemokine receptor type 4(Human)
University of Osnabr£Ck

Curated by ChEMBL
LigandPNGBDBM50485934(CHEMBL2179464)
Affinity DataIC50: 191nMAssay Description:Inhibition of anti-CXCR4 mAbs clone 173 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
University of Osnabr£Ck

Curated by ChEMBL
LigandPNGBDBM50485934(CHEMBL2179464)
Affinity DataIC50: 127nMAssay Description:Inhibition of CXCL-12'AF647 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 5(Human)
University of Osnabr£Ck

Curated by ChEMBL
LigandPNGBDBM50485934(CHEMBL2179464)
Affinity DataIC50: 1.75E+3nMAssay Description:Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
University of Osnabr£Ck

Curated by ChEMBL
LigandPNGBDBM50485934(CHEMBL2179464)
Affinity DataIC50: 231nMAssay Description:Inhibition of anti-CXCR4 mAbs clone 1D9 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
University of Osnabr£Ck

Curated by ChEMBL
LigandPNGBDBM50485934(CHEMBL2179464)
Affinity DataIC50: 175nMAssay Description:Inhibition of anti-CXCR4 mAbs clone 12G5 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
University of Osnabr£Ck

Curated by ChEMBL
LigandPNGBDBM50485934(CHEMBL2179464)
Affinity DataIC50: 38.3nMAssay Description:Antagonist activity against CXCR4 expressed in U87.CD.CXCR4 cells assessed as inhibition of CXCL12-induced calcium signaling incubated for 10 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed