BDBM230876 US10045974, 12::US10603310, Compound 12::US9346797, 12

SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1

InChI Key InChIKey=SCASMRHOWHFBAH-UHFFFAOYSA-N

Data  3 KI

  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 = 230876   

TargetBeta-secretase 1(Human)
H. Lundbeck

US Patent
LigandPNGBDBM230876(US10045974, 12 | US9346797, 12 | US10603310, Compo...)
Affinity DataKi:  6.10nM ΔG°:  -11.2kcal/molepH: 4.5 T: 2°CAssay Description:The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2017
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
H. Lundbeck

US Patent
LigandPNGBDBM230876(US10045974, 12 | US9346797, 12 | US10603310, Compo...)
Affinity DataKi:  6.10nM ΔG°:  -11.2kcal/molepH: 4.5 T: 2°CAssay Description:The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2018
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
H. Lundbeck

US Patent
LigandPNGBDBM230876(US10045974, 12 | US9346797, 12 | US10603310, Compo...)
Affinity DataKi:  6.10nMAssay Description:The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2020
Entry Details
Go to US Patent