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BDBM215970 US9302989, 169

SMILES: FC(F)(F)c1cccc(CCNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1

InChI Key: InChIKey=WJOQCGRWBUDRHC-UHFFFAOYSA-N

Data: 1 IC50

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 = 215970   
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215970
PNG
(US9302989, 169)
Show SMILES FC(F)(F)c1cccc(CCNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)21-7-3-4-17(14-21)12-13-29-23(32)18-8-10-22(11-9-18)30-24(33)31-15-19-5-1-2-6-20(19)16-31/h1-11,14H,12-13,15-16H2,(H,29,32)(H,30,33)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 108n/an/an/an/a7.5n/a



AbbVie Inc

US Patent


Assay Description
Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6HX1
More data for this
Ligand-Target Pair