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Compile Data Set for Download or QSAR

Found 8 hits with non-zero delta_G for polymer = 1072
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Caspase-3

(Homo sapiens (human))
BDBM19729
JPEG
(8-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}...)
GoogleScholar
PDB
PC cid
PC sid
-11.0-8.18-2.758.107.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)

Caspase-3

(Homo sapiens (human))
BDBM10320
JPEG
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-10.30.442-10.77.557.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)

Caspase-3

(Homo sapiens (human))
BDBM10348
JPEG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
GoogleScholar
PDB
PC cid
PC sid
-10.31.74-12.07.557.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)

Caspase-3

(Homo sapiens (human))
BDBM10320
JPEG
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-10.20.641-10.87.487.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)

Caspase-3

(Homo sapiens (human))
BDBM10320
JPEG
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-10.10.741-10.87.417.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)

Caspase-3

(Homo sapiens (human))
BDBM19730
JPEG
(3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidine...)
GoogleScholar
PDB
PC cid
PC sid
-10.1-9.34-0.7198.407.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)

Caspase-3

(Homo sapiens (human))
BDBM10246
JPEG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
GoogleScholar
PDB
CHEBI
PC cid
PC sid
-9.75-4.09-5.657.177.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)

Caspase-3

(Homo sapiens (human))
BDBM19728
JPEG
((3S)-3-[(1R)-1-[3-(naphthalene-2-amido)-2-oxo-1,2-...)
GoogleScholar
PDB
PC cid
PC sid
-9.65-7.20-2.467.097.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)