BDBM81395 APO-866

SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1

InChI Key InChIKey=KPBNHDGDUADAGP-VAWYXSNFSA-N

Data  2 KI  23 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 81395   

TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataKi:  0.300nMAssay Description:Noncompetitive inhibition of NAMPT (unknown origin)More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataKi:  3nMAssay Description:Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  1.48E+4nMAssay Description:Inhibition of human NAmPRTase by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  3nMAssay Description:Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  540nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  1nMAssay Description:Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assayMore data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  3.60E+3nMAssay Description:Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  3nMAssay Description:Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  3nMAssay Description:Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated for 15 mins measured after 30 minsMore data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  4.90nMAssay Description:Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  9nMAssay Description:Inhibition of human recombinant NAMPT using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by fluores...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  9nMAssay Description:Inhibition of NAMPT (unknown origin) using NAM as substrate incubated for 5 mins followed by substrate addition measured after 15 mins by fluorometri...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  5nMAssay Description:Inhibition of human full length C-terminal flag/His-tagged NAMPT (1 to 491 residues) expressed in HEK293-6E cells by TR-FRET assayMore data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  6.80nMAssay Description:Inhibition of recombinant NAMPT (unknown origin) using NAM and PRPP as substrates incubated for 60 mins in presence of NMNAT1 measured at 5 mins inte...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  32nMAssay Description:Inhibition of recombinant NAMPT (unknown origin) using nicotinamide as substrate measured every 5 mins for 30 mins in presence of recombinant NMNAT1More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  32nMAssay Description:Inhibition of recombinant NAMPT (unknown origin) using nicotinamide as substrate measured every 5 mins for 30 mins in presence of recombinant NMNAT1More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  21nMAssay Description:Inhibition of recombinant NAMPT (unknown origin) using nicotinamide and pyrophosphate as substrate incubated for 60 mins and measured for 30 mins at ...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  35nMAssay Description:Inhibition of recombinant human NAMPT incubated for 60 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  3nMAssay Description:Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escherichia coli BL21 using nicotinamide as substrate preincubated for 15 min...More data for this Ligand-Target Pair
TargetNicotinamide phosphoribosyltransferase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM81395(APO-866)
Affinity DataIC50:  0.140nMAssay Description:In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.More data for this Ligand-Target Pair