BDBM79967 2-[(1S,3R,12bS)-12b-ethyl-1-[4-(2-furoyl)piperazine-1-carbonyl]-10-(2-furyl)-4-keto-1,2,3,6,7,12-hexahydropyrido[2,1-a]-carbolin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide::2-[(1S,3R,12bS)-12b-ethyl-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-10-(furan-2-yl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide::2-[(1S,3R,12bS)-12b-ethyl-10-(2-furanyl)-1-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide::2-[(1S,3R,12bS)-12b-ethyl-10-(furan-2-yl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethanamide::MLS002642845::SMR001551227::cid_44601856

SMILES CC[C@@]12[C@H](C[C@H](CC(=O)NC\C=C(/C)CCC=C(C)C)C(=O)N1CCc1c2[nH]c2cc(ccc12)-c1ccco1)C(=O)N1CCN(CC1)C(=O)c1ccco1

InChI Key InChIKey=JWCORXGARXYQHK-UDRADUAXSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 79967   

TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79967(2-[(1S,3R,12bS)-12b-ethyl-1-[4-(2-furoyl)piperazin...)
Affinity DataIC50:  3.23E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79967(2-[(1S,3R,12bS)-12b-ethyl-1-[4-(2-furoyl)piperazin...)
Affinity DataIC50:  1.07E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay