BDBM50553072 CHEMBL4750948

SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12)ccc3O

InChI Key

Data  1 KI  4 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 5 hits for monomerid = 50553072   

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

Curated by ChEMBL
LigandPNGBDBM50553072(CHEMBL4750948)
Affinity DataIC50: 17nMAssay Description:Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetMu-type opioid receptor(Mouse)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50553072(CHEMBL4750948)
Affinity DataKi:  25nMAssay Description:Displacement of [3H]-NLX from mouse MOR expressed in CHO cells incubated for 1.5 hrs by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetMu-type opioid receptor(Mouse)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50553072(CHEMBL4750948)
Affinity DataIC50: 62nMAssay Description:Antagonist activity at mouse MOR expressed in CHO cells assessed as decrease in DAMGO-induced calcium influx incubated for 15 mins followed by DAMGO ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50553072(CHEMBL4750948)
Affinity DataIC50: 3.30E+3nMAssay Description:Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins follow...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50553072(CHEMBL4750948)
Affinity DataIC50: 1.72E+4nMAssay Description:Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed