BDBM50561914 CHEMBL4784104

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

InChI Key

Data  1 KI  3 IC50  2 EC50

  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 6 hits for monomerid = 50561914   

TargetMu-type opioid receptor(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50561914(CHEMBL4784104)
Affinity DataEC50:  50nMAssay Description:Agonist activity at mu opioid receptor (unknown origin) by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50561914(CHEMBL4784104)
Affinity DataIC50: 31nMAssay Description:Antagonist activity at human mu opioid receptor expressed in CHO cells co- expressing Gqi5 assessed as decrease in DAMGO-induced intracellular calciu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50561914(CHEMBL4784104)
Affinity DataIC50: 3.60E+3nMAssay 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
TargetC-X-C chemokine receptor type 4(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50561914(CHEMBL4784104)
Affinity DataIC50: 8.30E+3nMAssay Description:Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50561914(CHEMBL4784104)
Affinity DataEC50:  960nMAssay Description:Inhibition of HIV1 3B reverse transcriptase infected in human GHOST CXCR4 cells assessed as reduction in viral replication incubated for 60 to 90 min...More 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
LigandPNGBDBM50561914(CHEMBL4784104)
Affinity DataKi:  3.80nMAssay Description:Displacement of [3H]-NLX from mouse mu opioid receptor expressed in CHO cells measured after 1.5 hrs by competitive-binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed