BDBM114173 (3R,4aR,5R,7S)-5-cyclopropyl-1-(1-naphthalenylmethyl)-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::(3R,4aR,5R,7S)-5-cyclopropyl-7-isopropyl-2-keto-3-[2-keto-2-(4-phenylbutylamino)ethyl]-1-(1-naphthylmethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::MLS003876109::SMR002533054::cid_60160041::methyl (3R,4aR,5R,7S)-5-cyclopropyl-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylbutylamino)ethyl]-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::methyl (3R,4aR,5R,7S)-5-cyclopropyl-1-(naphthalen-1-ylmethyl)-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate

SMILES COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@@H](O[C@@H]2C1CC1)C(C)C

InChI Key InChIKey=QQBTZVNIDLMGRZ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 114173   

TargetDisintegrin and metalloproteinase domain-containing protein 10(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114173(methyl (3R,4aR,5R,7S)-5-cyclopropyl-1-(naphthalen-...)
Affinity DataIC50: 7.72E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetDisintegrin and metalloproteinase domain-containing protein 17(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114173(methyl (3R,4aR,5R,7S)-5-cyclopropyl-1-(naphthalen-...)
Affinity DataIC50: 6.95E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay