BDBM79963 2-[(3R,6R,8Z,11S)-3-tert-butyl-6-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid tert-butyl ester::2-[(3R,6R,8Z,11S)-6-[2-[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]-3-tert-butyl-5,12-diketo-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid tert-butyl ester::MLS002320088::SMR001337713::cid_44201634::tert-butyl 2-[(3R,6R,8Z,11S)-3-tert-butyl-5,12-bis(oxidanylidene)-6-[2-oxidanylidene-2-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]-1-oxa-4-azacyclododec-8-en-11-yl]ethanoate::tert-butyl 2-[(3R,6R,8Z,11S)-3-tert-butyl-6-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetate

SMILES CC(C)(C)OC(=O)C[C@@H]1C\C=C/C[C@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N[C@@H](COC1=O)C(C)(C)C

InChI Key InChIKey=CFKXLZMHZOCZAV-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 79963   

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

Curated by PubChem BioAssay
LigandPNGBDBM79963(SMR001337713 | 2-[(3R,6R,8Z,11S)-3-tert-butyl-6-[2...)
Affinity DataIC50: 520nMAssay 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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79963(SMR001337713 | 2-[(3R,6R,8Z,11S)-3-tert-butyl-6-[2...)
Affinity DataIC50: 3.29E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay