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BDBM16456 6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3-one::CHEMBL241777::Heterocyclic Sulfonylpyridazinone, 19h::benzofuran, 22

SMILES: O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1

InChI Key: InChIKey=RBZSSTPBYFHRSR-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 16456   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16456
PNG
(6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16456
PNG
(6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16456
PNG
(6-(1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3...)
Show SMILES O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C12H8N2O4S/c15-10-5-6-11(14-13-10)19(16,17)12-7-8-3-1-2-4-9(8)18-12/h1-7H,(H,13,15)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/a7.024



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