BindingDB logo
myBDB logout

PubMed code 2113948

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase


(Homo sapiens (Human))
BDBM50012764
PNG
((+/-)-6'-chloro-2'-methyl-(2'R,4'S)-spiro[1H,2H-im...)
Show SMILES C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C11H10ClN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012764
PNG
((+/-)-6'-chloro-2'-methyl-(2'R,4'S)-spiro[1H,2H-im...)
Show SMILES C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C11H10ClN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012762
PNG
((+)6'-chloro-2'-methyl-2,5-dioxo-(2'R,4'S)-spiro[1...)
Show SMILES C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1
Show InChI InChI=1S/C11H10ClN3O4/c1-5-3-11(9(16)13-10(17)14-11)7-2-6(12)4-15(18)8(7)19-5/h2,4-5H,3H2,1H3,(H2,13,14,16,17)/t5-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012761
PNG
((+/-)-6'-bromo-2'-methyl-(2'R,4'S)-spiro[1H,2H-imi...)
Show SMILES C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Br)cnc2O1
Show InChI InChI=1S/C11H10BrN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012767
PNG
((+/-)-6'-chloro-2'-methyl-(2'S,4'S)-spiro[1H,2H-im...)
Show SMILES C[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C11H10ClN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase


(Homo sapiens (Human))
BDBM50012762
PNG
((+)6'-chloro-2'-methyl-2,5-dioxo-(2'R,4'S)-spiro[1...)
Show SMILES C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1
Show InChI InChI=1S/C11H10ClN3O4/c1-5-3-11(9(16)13-10(17)14-11)7-2-6(12)4-15(18)8(7)19-5/h2,4-5H,3H2,1H3,(H2,13,14,16,17)/t5-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 950n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012760
PNG
((+/-)-6'-fluoro-2'-methyl-(2'R,4'S)-spiro[1H,2H-im...)
Show SMILES C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)cnc2O1
Show InChI InChI=1S/C11H10FN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012763
PNG
((-)-6'-chloro-2'-methyl-(2'S,4'R)-spiro[1H,2H-imid...)
Show SMILES C[C@H]1C[C@@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1
Show InChI InChI=1S/C11H10ClN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.09E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012765
PNG
((+/-)-6'-chloro-(4'S)-spiro[1H,2H-imidazole-4,4'-(...)
Show SMILES Clc1cnc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C10H8ClN3O3/c11-5-3-6-7(12-4-5)17-2-1-10(6)8(15)13-9(16)14-10/h3-4H,1-2H2,(H2,13,14,15,16)/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.45E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50012766
PNG
((+/-)-2'-methyl-(2'R,4'S)-spiro[1H,2H-imidazole-4,...)
Show SMILES C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cccnc2O1
Show InChI InChI=1S/C11H11N3O3/c1-6-5-11(9(15)13-10(16)14-11)7-3-2-4-12-8(7)17-6/h2-4,6H,5H2,1H3,(H2,13,14,15,16)/t6-,11+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.22E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aldose reductase isolated from human placenta


J Med Chem 33: 1859-65 (1990)


Article DOI: 10.1021/jm00169a005
BindingDB Entry DOI: 10.7270/Q2057GHH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%