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Compile Data Set for Download or QSAR

Found 27 hits with non-zero delta_G for polymer = 7572
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24434
JPEG
((3R,5R)-7-[3,4-bis(4-fluorophenyl)-1-methyl-5-[(3-...)
GoogleScholar
PDB
PC cid
PC sid
-11.8-0.898-10.98.497.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24430
JPEG
((3R,5R)-7-(5-{[4-(dimethylcarbamoyl)phenyl]carbamo...)
GoogleScholar
PDB
PC cid
PC sid
-11.51.60-13.18.277.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24429
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-4-methyl-5-(phenylca...)
GoogleScholar
PDB
PC cid
PC sid
-11.42.10-13.58.217.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24415
JPEG
((3R,5R)-7-[4-(benzylcarbamoyl)-2-(3,4-difluorophen...)
GoogleScholar
PDB
PC cid
PC sid
-11.34.59-15.98.167.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24418
JPEG
((3R,5R)-7-[2-(4-fluorophenyl)-4-{methyl[(1S)-1-phe...)
GoogleScholar
PDB
PC cid
PC sid
-11.32.90-14.18.127.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24432
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-5-{[4-(methoxycarbon...)
GoogleScholar
PDB
PC cid
PC sid
-11.10.898-12.08.037.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24416
JPEG
((3R,5R)-7-[2-(4-fluorophenyl)-4-{[(4-phenylphenyl)...)
GoogleScholar
PDB
PC cid
PC sid
-11.14.09-15.28.017.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24414
JPEG
((3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-10.96.69-17.77.877.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24433
JPEG
((3R,5R)-7-[3,4-bis(4-fluorophenyl)-1-methyl-5-(phe...)
GoogleScholar
PDB
PC cid
PC sid
-10.90.500-11.47.847.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24431
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-1-methyl-5-{[(5-meth...)
GoogleScholar
PDB
PC cid
PC sid
-10.91.30-12.27.857.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24422
JPEG
((3R,5R)-7-(2-ethyl-3-{[(4-phenylphenyl)methyl]carb...)
GoogleScholar
PDB
PC cid
PC sid
-10.9-2.69-8.297.907.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM18372
JPEG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
-10.82.40-13.27.777.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24419
JPEG
((3R,5R)-7-[2-(4-fluorophenyl)-4-({[3-(2-fluorophen...)
GoogleScholar
PDB
PC cid
PC sid
-10.6-1.69-8.897.667.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24437
JPEG
((3R,5R)-7-[2-(4-fluorophenyl)-4-(morpholin-4-ylsul...)
GoogleScholar
PDB
PC cid
PC sid
-10.62.50-13.27.677.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24435
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-(pr...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-10.6-2.69-7.897.677.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24420
JPEG
((3R,5R)-7-[4-(4-fluorophenyl)-2-{[(3-fluorophenyl)...)
GoogleScholar
PDB
PC cid
PC sid
-10.57.19-17.77.577.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24428
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-1-methyl-4-phenyl-5-...)
GoogleScholar
PDB
PC cid
PC sid
-10.53.10-13.77.587.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24426
JPEG
((3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-10.51.20-11.77.567.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24421
JPEG
((3R,5R)-7-[2-(benzylcarbamoyl)-4-(4-fluorophenyl)-...)
GoogleScholar
PDB
PC cid
PC sid
-10.45.99-16.47.507.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24423
JPEG
((3R,5R)-3,5-dihydroxy-7-(3-{[(1S)-2-hydroxy-1-phen...)
GoogleScholar
PDB
PC cid
PC sid
-10.3-2.69-7.597.467.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24438
JPEG
((3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-{[4-(2-methox...)
GoogleScholar
PDB
PC cid
PC sid
-10.22.79-13.07.377.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24425
JPEG
((3R,5R)-7-(2-ethyl-3-{[(4-phenylphenyl)methyl]carb...)
GoogleScholar
PDB
PC cid
PC sid
-10.2-5.09-5.197.397.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24417
JPEG
((3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-10.14.49-14.67.297.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24424
JPEG
((3R,5R)-7-[3-(benzylcarbamoyl)-2-(propan-2-yl)-1H,...)
GoogleScholar
PDB
PC cid
PC sid
-9.98-3.10-6.897.207.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24427
JPEG
((3R,5R)-7-[2-ethyl-5-(4-fluorophenyl)-3-(phenylcar...)
GoogleScholar
PDB
PC cid
PC sid
-9.880.398-10.37.167.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24436
JPEG
((3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-{[4-(methoxyc...)
GoogleScholar
PDB
PC cid
PC sid
-9.683.69-13.57.027.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM18373
JPEG
(3-Hydroxy-3-methylglutaryl-CoA | HMG-CoA)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-6.692.40-9.094.847.2030



Pfizer Inc.





J Med Chem 51: 3804-13 (2008)