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Compile Data Set for Download or QSAR

Found 20 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))
BDBM228821
JPEG
(ALR2 inhibitor, 8)
GoogleScholar
PDB
-10.6-5.09-15.710.7824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM228822
JPEG
(ALR2 inhibitor, 11)
GoogleScholar
PDB
PDB
-10.4-2.94-13.310.6824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

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))
BDBM228825
JPEG
(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
GoogleScholar
PDB
PDB
-9.96-2.14-12.1n/a824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM228825
JPEG
(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
GoogleScholar
PDB
PDB
-9.91-2.98-12.910.3824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

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
-9.05n/an/a6.65n/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))
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))
BDBM228824
JPEG
(2-(5-Fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy)ace...)
GoogleScholar
PDB
PDB
-7.52-3.51-11.08.55824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

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)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM228823
JPEG
(2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))
GoogleScholar
PDB
PDB
-7.07-1.35-8.468.18824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM228823
JPEG
(2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4))
GoogleScholar
PDB
PDB
-7.02-2.28-9.318.14824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM228820
JPEG
(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
GoogleScholar
PDB
-7.00-0.142-7.148.12824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM228820
JPEG
(2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)
GoogleScholar
PDB
-6.88-0.427-7.318.04824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)

(Homo sapiens (Human))
BDBM228826
JPEG
(3-((2-(Carboxymethoxy)-4-fluorobenzamido)methyl)be...)
GoogleScholar
PDB
PDB
-6.07-2.63-8.697.44824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)