BDBM160931 US9107954, 1
SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1
InChI Key InChIKey=BAVVASQPMQMZER-XJSRWQIGSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 8 hits for monomerid = 160931
Affinity DataKi: 51.8nMAssay Description:A bivalent ligand 1 (FIG. 14) that combines the pharmacophores of naltrexone (a MOR antagonist) and maraviroc (a CCR5 antagonist) into one molecule w...More data for this Ligand-Target Pair
Affinity DataKi: 52nMAssay Description:Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Macaca fascicularis)
Virginia Commonwealth University
Curated by ChEMBL
Virginia Commonwealth University
Curated by ChEMBL
Affinity DataKi: 239nMAssay Description:Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataKi: 239nMAssay Description:Afterwards, the pharmacological profile of bivalent ligand 1 at the chemokine receptor CCR5 was characterized similarly. The competitive radioligand ...More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Antagonist activity at human mu opioid receptor expressed in Gqi5 transfected CHO cells assessed as inhibition of DAMGO-stimulated Ca2+ influx preinc...More data for this Ligand-Target Pair
Affinity DataIC50: 126nMAssay Description:Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins fo...More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:As Ca2+ flux is associated with the activation of the MOR, the functional activity of bivalent ligand 1, monovalent ligand 2, and naltrexone was then...More data for this Ligand-Target Pair
Affinity DataIC50: 126nMAssay Description:Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As ex...More data for this Ligand-Target Pair