BDBM106971 US8592457, 7-5
SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC
InChI Key InChIKey=VSOUDUXMPUHJEU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 10 hits for monomerid = 106971
Affinity DataKi: 0.950nM ΔG°: -12.8kcal/molepH: 7.4 T: 2°CAssay Description:Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).More data for this Ligand-Target Pair
Affinity DataKi: 1.10nMAssay Description:Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories
Curated by ChEMBL
Merck Research Laboratories
Curated by ChEMBL
Affinity DataKi: 3.60E+3nMAssay Description:Displacement of N-cyclobutyl-5-methyl-N-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R I408...More data for this Ligand-Target Pair
Affinity DataKi: 1.94E+4nMAssay Description:Time dependent inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck Research Laboratories
Curated by ChEMBL
Merck Research Laboratories
Curated by ChEMBL
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >5.00E+4nMAssay Description:Reversible inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >5.00E+4nMAssay Description:Reversible inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+4nMAssay Description:Reversible inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Merck Research Laboratories
Curated by ChEMBL
Merck Research Laboratories
Curated by ChEMBL
Affinity DataIC50: 1.99E+3nMAssay Description:Antagonist activity at human OX1R I408V mutant expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR...More data for this Ligand-Target Pair
Affinity DataIC50: 16nMAssay Description:Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assayMore data for this Ligand-Target Pair