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Compile Data Set for Download or QSAR

Found 10 hits with non-zero delta_G for polymer = 50001338,50002198,8165,8450
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16512
JPEG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-11.26.88-18.08.18824.9


TBA



Details of this binding reaction

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16238
JPEG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-10.24.63-14.87.50824.9



University of Marburg





J Mol Biol 368: 618-38 (2007)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16239
JPEG
(2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}ph...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-10.18.81-18.97.40824.9



University of Marburg





J Mol Biol 368: 618-38 (2007)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16313
JPEG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-9.77n/an/a7.17n/a24.9


TBA



Details of this binding reaction

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16314
JPEG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-9.08n/an/a6.66n/a24.9


TBA



Details of this binding reaction

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16312
JPEG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-9.053.32-12.46.65824.9


TBA



Details of this binding reaction

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16312
JPEG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-9.05n/an/a6.65n/a24.9


TBA



Details of this binding reaction

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16233
JPEG
(4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic...)
GoogleScholar
PDB
CHEBI
MMDB
PC cid
PC sid
-8.46-2.34-6.116.22824.9



University of Marburg





J Mol Biol 368: 618-38 (2007)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16315
JPEG
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-8.24n/an/a6.04n/a24.9


TBA



Details of this binding reaction

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM16235
JPEG
(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-7.48-5.40-2.085.49824.9



University of Marburg





J Mol Biol 368: 618-38 (2007)