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Compile Data Set for Download or QSAR

Found 11 hits with non-zero delta_G for polymer = 1861,50001318,50004618,50006083
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM18041
JPEG
(N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...)
Renin

(Homo sapiens (human))
MMDB
PC cid
PC sid
PDB
GoogleScholar
PDB
-9.76-0.432-9.336.10728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM18038
JPEG
(6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...)
Renin

(Homo sapiens (human))
PC cid
PC sid
PDB
GoogleScholar
PDB
-9.750.230-9.987.10728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM17983
JPEG
(1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...)
Renin

(Homo sapiens (human))
DrugBank
MMDB
PC cid
PC sid
PDB
GoogleScholar
PDB
-9.621.06-10.77.00728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM18039
JPEG
(6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]py...)
Renin

(Homo sapiens (human))
DrugBank
MMDB
PC cid
PC sid
PDB
GoogleScholar
PDB
-9.473.50-13.06.90728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM17974
JPEG
((2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-me...)
Renin

(Homo sapiens (human))
PC cid
PC sid
GoogleScholar
PDB
-9.274.01-13.36.75728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM17988
JPEG
(1,4-benzoxazin-3-one, 25 | 6-(2,4-diamino-6-ethylp...)
Renin

(Homo sapiens (human))
PC cid
PC sid
PDB
GoogleScholar
PDB
-9.25-0.367-8.896.73728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM18040
JPEG
(4-amino-N-{2-[2-({2-amino-6-ethyl-5-[4-(3-methoxyp...)
Renin

(Homo sapiens (human))
PC cid
PC sid
GoogleScholar
PDB
-9.03-6.93-2.106.57728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM17980
JPEG
(1,4-benzoxazin-3-one, 17 | 6-(2,4-diamino-6-ethylp...)
Renin

(Homo sapiens (human))
MMDB
PC cid
PC sid
PDB
GoogleScholar
PDB
-8.76-1.96-6.796.37728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM18037
JPEG
(6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...)
Renin

(Homo sapiens (human))
PC cid
PC sid
GoogleScholar
PDB
-8.625.86-14.56.27728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM18042
JPEG
(N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...)
Renin

(Homo sapiens (human))
PC cid
PC sid
GoogleScholar
PDB
-8.28-5.69-2.596.02728



Pfizer





Anal Biochem 360: 30-40 (2007)

BDBM18036
JPEG
(5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-...)
Renin

(Homo sapiens (human))
DrugBank
MMDB
PC cid
PC sid
PDB
GoogleScholar
PDB
-7.492.00-9.485.45728



Pfizer





Anal Biochem 360: 30-40 (2007)