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2 similar compounds to monomer 16630

Compile data set for download or QSAR
Wt: 276.2
BDBM16456
Wt: 310.7
BDBM16457

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 16456,16457   
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

GoogleScholar
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))
BDBM16457
PNG
(6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...)
Show SMILES Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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))
BDBM16457
PNG
(6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...)
Show SMILES Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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))
BDBM16457
PNG
(6-[(5-chloro-1-benzofuran-2-)sulfonyl]-2,3-dihydro...)
Show SMILES Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H7ClN2O4S/c13-8-1-2-9-7(5-8)6-12(19-9)20(17,18)11-4-3-10(16)14-15-11/h1-6H,(H,14,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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
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

GoogleScholar
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

GoogleScholar
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