Found 17 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1 [K65Q]' and Ligand = 'BDBM16312' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against bovine lens aldose reductase |
J Med Chem 28: 1716-20 (1985)
BindingDB Entry DOI: 10.7270/Q28S4NZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description In vitro inhibition of partially purified calf lens aldose reductase |
J Med Chem 31: 230-43 (1988)
BindingDB Entry DOI: 10.7270/Q27D2VQF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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| PDB PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-7 M concentration |
J Med Chem 34: 2504-20 (1991)
BindingDB Entry DOI: 10.7270/Q2H9945P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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| PDB PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-6 M concentration |
J Med Chem 34: 2504-20 (1991)
BindingDB Entry DOI: 10.7270/Q2H9945P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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| PDB Article PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine lens ALR2 assessed as reduction of D,L-glyceraldehyde by spectrophotometry |
Bioorg Med Chem 16: 5840-52 (2008)
Article DOI: 10.1016/j.bmc.2008.04.072 BindingDB Entry DOI: 10.7270/Q2PR7WXX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase |
Bioorg Med Chem Lett 17: 3886-93 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.109 BindingDB Entry DOI: 10.7270/Q27P9077 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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| PDB PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate |
J Med Chem 27: 255-6 (1984)
BindingDB Entry DOI: 10.7270/Q2QR4W4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena
Curated by ChEMBL
| Assay Description The compound was tested for Inhibitory effect against Aldose reductase 1 in bovine kidneys |
J Med Chem 42: 1881-93 (1999)
Article DOI: 10.1021/jm980441h BindingDB Entry DOI: 10.7270/Q25X29M1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Modena
Curated by ChEMBL
| Assay Description Inhibition of Aldose reductase 2 of bovine lens |
J Med Chem 42: 1881-93 (1999)
Article DOI: 10.1021/jm980441h BindingDB Entry DOI: 10.7270/Q25X29M1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine lens ALR2 |
Eur J Med Chem 46: 2797-806 (2011)
Article DOI: 10.1016/j.ejmech.2011.03.068 BindingDB Entry DOI: 10.7270/Q2CF9QFF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis |
Bioorg Med Chem Lett 21: 200-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.041 BindingDB Entry DOI: 10.7270/Q2ZP46C4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine lens aldose reductase |
Bioorg Med Chem 18: 4049-55 (2010)
Article DOI: 10.1016/j.bmc.2010.04.016 BindingDB Entry DOI: 10.7270/Q2RN38VN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH |
Eur J Med Chem 81: 1-14 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for inhibition of Aldose reductase 2 |
J Med Chem 39: 4396-405 (1996)
Article DOI: 10.1021/jm960124f BindingDB Entry DOI: 10.7270/Q2N58N21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Aldose reductase 2 obtained from calf lenses |
J Med Chem 42: 1894-900 (1999)
Article DOI: 10.1021/jm981107o BindingDB Entry DOI: 10.7270/Q2T43S94 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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Patents
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| PDB Article PubMed
| n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Quaid-i-Azam University
Curated by ChEMBL
| Assay Description Inhibition of ALR2 in calf lenses using DL-glyceraldehyde as substrate treated with compound for 10 mins prior to substrate addition by UV spectropho... |
Eur J Med Chem 98: 127-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.05.011 BindingDB Entry DOI: 10.7270/Q25140X4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1 [K65Q]
(Bos taurus (Cattle)) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against human placenta aldose reductase |
J Med Chem 28: 1716-20 (1985)
BindingDB Entry DOI: 10.7270/Q28S4NZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |