BDBM36269 6-O-(4-nitrophenyl)-beta-cyclodextrin

SMILES: OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COc3ccc(cc3)[N+]([O-])=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O

InChI Key: InChIKey=JRVCLZUPKNAGGD-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 = 36269

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36269	BDBM36176	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-3.91	-3.66	-0.248	2.92	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36269	BDBM5	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-4.31	-3.49	-0.822	3.16	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36269	BDBM36178	PC cid PC sid	PC cid PC sid		-5.04	-2.68	-2.37	3.70	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36269	BDBM36194	PC cid PC sid	PC cid PC sid		-5.45	-2.32	-3.13	4.00	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36269	BDBM36263	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-6.17	-3.68	-2.49	4.53	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36269	BDBM36264	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid		-5.49	-1.80	-3.69	4.03	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36269	BDBM36265	PC cid PC sid	CHEBI KEGG PC cid PC sid		-6.85	-2.82	-4.04	5.03	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36269	BDBM36266	PC cid PC sid	CHEBI KEGG PC cid PC sid		-6.39	-0.897	-5.49	4.70	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)