BDBM50002382 1-(1-ethynyl)-1-hydroxy-16a,18a-dimethyl-(1R,5aS,16aS,18aS)-1,2,3,3a,3b,4,5,5a,6,13,16,16a,16b,17,18,18a-hexadecahydrocyclopenta[5,6]naphtho[1,2-g]quinazolino[2,3-b]quinazolin-13-one(0.5MH2O)::CHEMBL3138259

SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])Cc3nc4nc5ccccc5c(=O)n4cc3C[C@]12C

InChI Key InChIKey=VHQMKHZWPNFWGE-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50002382   

TargetSubstance-P receptor(Rat)
Rochester

Curated by ChEMBL
LigandPNGBDBM50002382(CHEMBL3138259 | 1-(1-ethynyl)-1-hydroxy-16a,18a-di...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed