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BDBM216715 US9302989, 1517

SMILES: CC(C)(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1

InChI Key: InChIKey=AYOPSNDMQVUOPS-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 216715   
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))
BDBM216715
PNG
(US9302989, 1517)
Show SMILES CC(C)(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H28N4O2/c1-24(2,3)22(29)27-12-9-18(10-13-27)17-4-6-21(7-5-17)26-23(30)28-15-19-8-11-25-14-20(19)16-28/h4-9,11,14H,10,12-13,15-16H2,1-3H3,(H,26,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 1.03n/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
Probe 2: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