BDBM36123 AB-TMA2-beta-cyclodextrin

SMILES: [H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(C[N+](C)(C)C)O[C@]([H])(O[C@]6([H])[C@@]([H])(C[N+](C)(C)C)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O

InChI Key: InChIKey=CSHLBWLJNBGXJR-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 = 36123

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
BDBM36123	BDBM50043820	PC cid PC sid	CHEBI KEGG PC cid PC sid		-2.95	1.64	-4.59	2.16	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36123	BDBM50043802	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-2.88	1.64	-4.56	2.11	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36123	BDBM36121	PC cid PC sid	PC cid PC sid		-2.92	0.335	-3.25	2.14	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36123	BDBM36122	PC cid PC sid	PC cid PC sid		-2.78	0.691	-3.46	2.04	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 126: 14224-33 (2004)
BDBM36123	BDBM36120	PC cid PC sid	MMDB PC cid PC sid		n/a	-0.0498	-3.05	2.28	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 123: 5360-5361 (2000)
BDBM36123	BDBM36119	PC cid PC sid	KEGG MMDB PC cid PC sid		n/a	-0.513	-2.39	2.13	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 123: 5360-5361 (2000)
BDBM36123	BDBM36137	PC cid PC sid	KEGG MMDB PC cid PC sid PDB		n/a	n/a	-3.08	2.26	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 123: 5360-5361 (2000)
BDBM36123	BDBM36138	PC cid PC sid	KEGG MMDB PC cid PC sid		n/a	0.0214	-3.08	2.25	6.90	25
Nagoya Institute of Technology					J Am Chem Soc 123: 5360-5361 (2000)