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 K	pH	Temp °C
BDBM36270	BDBM36176	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-3.55	-3.07	-0.478	2.56	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36270	BDBM5	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-4.38	-3.56	-0.822	3.21	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36270	BDBM36178	PC cid PC sid	PC cid PC sid		-5.28	-3.06	-2.22	3.87	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36270	BDBM36194	PC cid PC sid	PC cid PC sid		-5.73	-2.60	-3.14	4.21	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36270	BDBM36263	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.95	-2.64	-3.31	4.36	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36270	BDBM36264	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid		-5.54	-2.58	-2.95	4.06	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36270	BDBM36265	PC cid PC sid	CHEBI KEGG PC cid PC sid		-6.73	-1.01	-5.73	4.94	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)
BDBM36270	BDBM36266	PC cid PC sid	CHEBI KEGG PC cid PC sid		-6.77	-1.50	-5.28	4.97	7.20	25
Nankai University					J Org Chem 69: 173-80 (2004)