BDBM16315 6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,3-dihydropyridazin-3-one::6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2H)-one::62P::CHEMBL240725::CP-744809::Heterocyclic Sulfonylpyridazinone, 19m::Pyridazinone::benzofuran, 24

SMILES Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl

InChI Key InChIKey=FXFPQPNUMWQRAO-UHFFFAOYSA-N

Data  5 IC50  1 ITC

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 16315   

LigandPNGBDBM16315(CP-744809 | CHEMBL240725 | 6-[(5-chloro-3-methyl-1...)
Affinity DataIC50: 1nMAssay Description:The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM16315(CP-744809 | CHEMBL240725 | 6-[(5-chloro-3-methyl-1...)
Affinity DataIC50: 0.840nMpH: 7.0 T: 2°CAssay Description:The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/2/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM16315(CP-744809 | CHEMBL240725 | 6-[(5-chloro-3-methyl-1...)
Affinity DataIC50: 1nMAssay Description:Inhibition of aldose reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM16315(CP-744809 | CHEMBL240725 | 6-[(5-chloro-3-methyl-1...)
Affinity DataIC50: 0.840nMAssay Description:Inhibition of Homo sapiens (human) recombinant aldose reductase using D-glyceraldehyde as substrate incubated for 10 min prior to substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PDB3D3D Structure (crystal)
LigandPNGBDBM16315(CP-744809 | CHEMBL240725 | 6-[(5-chloro-3-methyl-1...)
Affinity DataIC50: 1nMAssay Description:Inhibition of human recombinant Aldose reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16315   

CellAldose reductase (AR)(Human)
Philipps University Marburg

SyringePNGBDBM16315(CP-744809 | CHEMBL240725 | 6-[(5-chloro-3-methyl-1...)
ITC DataΔG°: -8.24kcal/mole logk: 1.10E+6
T: 24.85°C