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BDBM36270 6-O-(4-bromophenyl)-beta-cyclodextrin

SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COc7ccc(Br)cc7)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

InChI Key: InChIKey=CJNXGXZZZJEIEG-IHHCOHTPSA-N

Data: 8 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 8 hits for monomerid = 36270
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36270
JPEG
BDBM36176
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-3.55-3.07-0.4782.567.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM5
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-4.38-3.56-0.8223.217.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM36178
JPEG
PC cid
PC sid
PC cid
PC sid
-5.28-3.06-2.223.877.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM36194
JPEG
PC cid
PC sid
PC cid
PC sid
-5.73-2.60-3.144.217.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM36263
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-5.95-2.64-3.314.367.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM36264
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
-5.54-2.58-2.954.067.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM36265
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-6.73-1.01-5.734.947.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM36266
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-6.77-1.50-5.284.977.2025



Nankai University





J Org Chem 69: 173-80 (2004)