BDBM50236897 3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL405845::US9180183, Furafylline::furafylline

SMILES Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1

InChI Key InChIKey=KGQZGCIVHYLPBH-UHFFFAOYSA-N

Data  5 KI  28 IC50

  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 33 hits for monomerid = 50236897   

TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 6.29E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 15 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 2.42E+3nMAssay Description:Inhibition of human recombinant CYP1A2 expressed in insect microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 2.42E+3nMAssay Description:Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human recombinant CYP1A2 using CEC as substrate incubated for 30 mins by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2017
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.04E+3nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 2.42E+3nMAssay Description:Inhibition of human CYP1A2 expressed in baculovirus-infected insect microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.04E+3nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 2.20E+3nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2018
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP1A2 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of human CYP1A2 by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of human CYP1A2 by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 4.52E+3nMAssay Description:Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 4.52E+3nMAssay Description:Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 2.42E+3nMAssay Description:Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/28/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.62E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of recombinant CYP1A2 (unknown origin) using 7-ethoxy-3-cyanocoumarin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetUDP-glucuronosyltransferase 2B10(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed
TargetUDP-glucuronosyltransferase 2B7(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed
TargetUDP-glucuronosyltransferase 1-6(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed
TargetUDP-glucuronosyltransferase 1A4(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2017
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 1.90E+3nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2016
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataIC50: 1.90E+3nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2016
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataKi:  3.00E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyresorufin O-deethylation (EROD)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataKi:  2.30E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 1A2 measured by formation of 6-hydroxywarfarinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Global Blood Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataKi:  6.80E+4nMAssay Description:Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2016
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataKi: >2.00E+5nMAssay Description:Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50236897(furafylline | 3-(furan-2-ylmethyl)-1,8-dimethyl-1H...)
Affinity DataKi: >2.00E+5nMAssay Description:Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2016
Entry Details Article
PubMed