BDBM50030765 NPI-2358::Plinabulin

SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O

InChI Key InChIKey=UNRCMCRRFYFGFX-TYPNBTCFSA-N

Data  11 IC50  4 Kd

PDB links: 4 PDB IDs match this monomer.

  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 15 hits for monomerid = 50030765   

TargetTubulin alpha-1A/beta chain(Pig)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to porcine tubulin incubated for 1 hr by spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta chain(Pig)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataKd:  1.06E+3nMAssay Description:Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  3.81E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  1.24E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  1.84E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  4.23E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  560nMAssay Description:Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  530nMAssay Description:Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  1.02E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta chain(Pig)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataKd:  1.06E+3nMAssay Description:Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta chain(Pig)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataKd:  1.06E+3nMAssay Description:Binding affinity to pig tubulin after 1 hr by fluorescence quenching analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTubulin beta chain(Pig)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50030765(NPI-2358 | Plinabulin)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of porcine tubulin polymerization by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed