BDBM100172 1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-keto-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]-carbolin-2-yl]-3-cyclohexyl-1-methyl-urea::1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-oxo-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-cyclohexyl-1-methylurea::1-[(2S,3R,12bS)-3-[(1S)-1-oxidanylethyl]-4-oxidanylidene-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-cyclohexyl-1-methyl-urea::3-cyclohexyl-1-((2S,3R,12bS)-3-((S)-1-hydroxyethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-1-methylurea::MLS002920949::SMR001798414::cid_46902359

SMILES C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)NC1CCCCC1

InChI Key InChIKey=SGGLKOXFSPSGKS-JNHSIYEJSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100172   

TargetKallikrein-7(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM100172(1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-keto-2,3...)
Affinity DataEC50:  8.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay