BDBM50464556 CHEMBL4289811::US10464907, Compound 21f::US10889552, Compound 21f

SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1

InChI Key InChIKey=FPLRZXZDCUKVAU-UHFFFAOYSA-N

Data  8 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50464556   

TargetCytochrome P450 3A4/3A43/3A5/3A7(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  2.59E+4nMAssay Description:Inhibition of CYP3A in human pooled human liver microsomes using midazolam as substrate assessed as midazolam 1'-hydroxylation preincubated for 5 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  1.46E+4nMAssay Description:Inhibition of CYP2C19 in human pooled human liver microsomes using omeprazole as substrate assessed as omepraozle hydroxylation preincubated for 5 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataKd:  3.10nMAssay Description:Binding affinity to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) by surface plasmon resonance assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  2.30E+4nMAssay Description:Inhibition of CYP2D6 in human pooled human liver microsomes using dextromethorphan as substrate assessed as dextromethorphan O-demethylation preincub...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  5.30nMAssay Description:Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  3.41E+4nMAssay Description:Inhibition of CYP1A2 in human pooled human liver microsomes using phenacetin as substrate assessed as phenacetin O-demethylation preincubated for 5 m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Bovine)
Industry Academic Cooperation Foundation Keimyung University

US Patent
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  5.30nMAssay Description:Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Keimyung University

Curated by ChEMBL
LigandPNGBDBM50464556(CHEMBL4289811 | US10464907, Compound 21f | US10889...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibition of CYP2C9 in human pooled human liver microsomes using tolbutamide as substrate assessed as tolbutamide 4-methylhydroxylation preincubated...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed