BDBM540823 (1-(4- Chlorophenyl)-1H- 1,2,3-triazol- 4-yl)methyl- (2alpha,3beta)-2-((1-(4- chlorophenyl)-1H- 1,2,3-triazol-4- yl)methoxy)-3- hydroxyolean-12- en-28-oate::US11266632, Compound 12

SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](OCc6cn(nn6)-c6ccc(Cl)cc6)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCc1cn(nn1)-c1ccc(Cl)cc1

InChI Key InChIKey=KEEQJIRCTGZWPV-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 = 540823   

TargetSpike glycoprotein(2019-nCoV)
King Abdulaziz University

US Patent
LigandPNGBDBM540823(US11266632, Compound 12 | (1-(4- Chlorophenyl)-1H-...)
Affinity DataIC50: 1.16E+5nMAssay Description:The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture...More data for this Ligand-Target Pair
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Date in BDB:
6/26/2022
Entry Details
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