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Compile Data Set for Download or QSAR

Found 5 hits with non-zero delta_G for polymer = 687
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM14842
JPEG
(1-[4-(2-Morpholin-4-yl-ethoxy)-naphthalen-1-yl]-3-...)
5-hydroxytryptamine receptor 2A

(Homo sapiens (Human))
PC cid
PC sid
DrugBank
GoogleScholar
KEGG
PDB
n/an/a-4.295.93725



Boehringer Ingelheim Pharmaceuticals Inc.





J Med Chem 46: 4669-75 (2003)

BDBM14831
JPEG
(3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-(4-chl...)
5-hydroxytryptamine receptor 2A

(Homo sapiens (Human))
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
DrugBank
GoogleScholar
KEGG
PDB
n/an/a-5.595.94725



Boehringer Ingelheim Pharmaceuticals Inc.





J Med Chem 46: 4669-75 (2003)

BDBM14836
JPEG
(3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...)
5-hydroxytryptamine receptor 2A

(Homo sapiens (Human))
PC cid
PC sid
DrugBank
GoogleScholar
KEGG
PDB
n/an/a-11.68.30725



Boehringer Ingelheim Pharmaceuticals Inc.





J Med Chem 46: 4669-75 (2003)

BDBM14835
JPEG
(1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(2-...)
5-hydroxytryptamine receptor 2A

(Homo sapiens (Human))
PC cid
PC sid
DrugBank
GoogleScholar
KEGG
PDB
n/an/a-10.18725



Boehringer Ingelheim Pharmaceuticals Inc.





J Med Chem 46: 4669-75 (2003)

BDBM14834
JPEG
(1-[5-(2-Hydroxy-1,1-dimethylethyl)-2-p-tolyl-2H-py...)
5-hydroxytryptamine receptor 2A

(Homo sapiens (Human))
PC cid
PC sid
DrugBank
GoogleScholar
KEGG
PDB
n/an/a-11.47.70725



Boehringer Ingelheim Pharmaceuticals Inc.





J Med Chem 46: 4669-75 (2003)