BDBM400094 (1aR,6aR)-N-(3-cyano-4-fluorophenyl)-4-methyl-5-(2-((3-methyl-1,1-dioxidothietan-3-yl)amino)-2-oxoacetyl)-1,1a,6,6a-tetrahydrocyclopropa[b]pyrrolizine-3-carboxamide::US10328053, Compound 72::US10874640, Compound 72::US20230270719, Compound 72

SMILES Cc1c(C(=O)C(=O)NC2(C)CS(=O)(=O)C2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1ccc(F)c(c1)C#N

InChI Key InChIKey=IRDIBJRDLVCQSR-UHFFFAOYSA-N

Data  3 EC50

  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 3 hits for monomerid = 400094   

TargetSodium/bile acid cotransporter(Human)
Gilead Sciences

US Patent
LigandPNGBDBM400094(US10328053, Compound 72 | (1aR,6aR)-N-(3-cyano-4-f...)
Affinity DataEC50:  69.8nMAssay Description:A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2023
Entry Details
US Patent

TargetCapsid protein(HBV-C)
Gilead Sciences

US Patent
LigandPNGBDBM400094(US10328053, Compound 72 | (1aR,6aR)-N-(3-cyano-4-f...)
Affinity DataEC50:  69.8nMAssay Description:A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2021
Entry Details
US Patent

TargetSodium/bile acid cotransporter(Human)
Gilead Sciences

US Patent
LigandPNGBDBM400094(US10328053, Compound 72 | (1aR,6aR)-N-(3-cyano-4-f...)
Affinity DataEC50:  69.8nMAssay Description:A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2020
Entry Details
US Patent