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: Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
InChI Key: InChIKey=FXFPQPNUMWQRAO-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ... | J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldose reductase (Homo sapiens (Human)) | BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Homo sapiens (human) recombinant aldose reductase using D-glyceraldehyde as substrate incubated for 10 min prior to substrate addition ... | Citation and Details Article DOI: 10.1007/s00044-012-0261-1 BindingDB Entry DOI: 10.7270/Q2VX0KD3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition of aldose reductase | Bioorg Med Chem 15: 7865-77 (2007) Article DOI: 10.1016/j.bmc.2007.08.019 BindingDB Entry DOI: 10.7270/Q2QR4WV6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | 7.0 | 24 |
Pfizer | Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ... | J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Aldose reductase (AR) (Homo sapiens (Human)) | BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) | GoogleScholar PDB | DrugBank MMDB PC cid PC sid PDB | -8.24 | n/a | n/a | 6.04 | n/a | 24.9 | |
Philipps-University Marburg | J Mol Biol 356: 45-56 (2006) |