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BDBM232931 US9346839, 15

SMILES: COc1ccc2nc(N[C@@H](c3ccc(F)cc3)P(=O)(OC)OC)sc2c1

InChI Key: InChIKey=CPESXEZHCUPKHA-MRXNPFEDSA-N

Data: 1 KI  1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232931   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amyloid Binding Alcohol Dehydrogenase


(Homo sapiens (Human))
BDBM232931
PNG
(US9346839, 15)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(F)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H18FN2O4PS/c1-22-13-8-9-14-15(10-13)26-17(19-14)20-16(25(21,23-2)24-3)11-4-6-12(18)7-5-11/h4-10,16H,1-3H3,(H,19,20)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
3.56E+5 -4.70 1.26E+6 264n/an/an/a7.425



University of Kansas

US Patent


Assay Description
The interactions between compounds and ABAD were performed using the dual flow cell BIACORE 3000 instrument. Surface Plasmon Resonance (SPR) studies ...


US Patent US9346839 (2016)


BindingDB Entry DOI: 10.7270/Q2J1022N
More data for this
Ligand-Target Pair