BDBM36284 BDBM36303::BDBM36310::Methyl Viologen-Cucurbit[8]uril Complex (MV-CB[8])::SAMPL3, H3

SMILES: O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN%21C%22C%23N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN1C2=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O

InChI Key: InChIKey=CONWISUOKHSUDR-LBCLZKRDSA-N

Data: 52 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 52 hits for monomerid = 36284

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
BDBM36284	BDBM50159250	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-6.93	3.60	-10.6	5.15	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36285	PC cid PC sid	PC cid PC sid		-6.59	6.98	-13.6	4.86	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36286	PC cid PC sid	PC cid PC sid		-6.59	4.40	-11.0	4.82	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM26187	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-5.71	5.50	-11.2	4.18	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36300	PC cid PC sid	CHEBI DrugBank MMDB PC cid PC sid PDB		-5.02	5.98	-11.0	3.61	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM50094702	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-7.19	2.60	-9.79	5.26	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36304	PC cid PC sid	PC cid PC sid		-5.90	15.5	-21.4	4.34	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM21974	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.21	3.90	-10.1	4.53	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36291	PC cid PC sid	KEGG MMDB PC cid PC sid PDB		-4.90	7.48	-12.4	3.62	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36305	PC cid PC sid	PC cid PC sid		-6.93	11.4	-18.4	5.11	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36306	PC cid PC sid	PC cid PC sid		-7.81	18.0	-25.8	5.75	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36304	PC cid PC sid	PC cid PC sid		-6.71	7.38	-14.1	4.89	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36305	PC cid PC sid	PC cid PC sid		-6.40	6.40	-12.8	4.70	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36306	PC cid PC sid	PC cid PC sid		-6.81	5.90	-12.7	5	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36307	PC cid PC sid	CHEBI PC cid PC sid		-6.93	8.60	-15.6	5.08	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36308	PC cid PC sid	CHEBI PC cid PC sid		-5.80	10.7	-16.5	4.23	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36309	PC cid PC sid	CHEBI PC cid PC sid		-5.02	7.89	-13.0	3.61	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36311	PC cid PC sid	PC cid PC sid		-7.91	-4.50	-3.39	5.76	7	27
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM36285	PC cid PC sid	PC cid PC sid		-7.86	n/a	n/a	5.77	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36286	PC cid PC sid	PC cid PC sid		-7.09	n/a	n/a	5.20	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50106187	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.63	n/a	n/a	4.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50249069	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-3.50	n/a	n/a	2.57	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36287	PC cid PC sid	PC cid PC sid		-6.95	n/a	n/a	5.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36288	PC cid PC sid	CHEBI DrugBank MMDB PC cid PC sid PDB		-6.65	n/a	n/a	4.88	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36289	PC cid PC sid	PC cid PC sid		-6.45	n/a	n/a	4.73	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26190	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-4.94	n/a	n/a	3.62	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36290	PC cid PC sid	CHEBI KEGG PC cid PC sid PDB		-7.50	n/a	n/a	5.51	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36291	PC cid PC sid	KEGG MMDB PC cid PC sid PDB		-5.88	n/a	n/a	4.32	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26189	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.06	n/a	n/a	3.72	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26196	PC cid PC sid	CHEBI PC cid PC sid PDB		-4.78	n/a	n/a	3.51	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36292	PC cid PC sid	PC cid PC sid		-7.77	n/a	n/a	5.70	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26188	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-5.48	n/a	n/a	4	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36293	PC cid PC sid	MMDB PC cid PC sid		-5.19	n/a	n/a	3.81	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36294	PC cid PC sid	PC cid PC sid		-5.07	n/a	n/a	3.72	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36295	PC cid PC sid	CHEBI PC cid PC sid PDB		-5.05	n/a	n/a	3.70	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50159250	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-7.88	n/a	n/a	5.79	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36296	PC cid PC sid	PC cid PC sid		-7.09	n/a	n/a	5.20	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36297	PC cid PC sid	CHEBI PC cid PC sid		-5.19	n/a	n/a	3.81	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36298	PC cid PC sid	MMDB PC cid PC sid PDB		-4.48	n/a	n/a	3.28	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM23450	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-7.63	n/a	n/a	5.60	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50167952	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.51	n/a	n/a	4.78	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50150779	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.40	n/a	n/a	3.96	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36299	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.61	n/a	n/a	4.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM26187	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-5.93	n/a	n/a	4.34	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36300	PC cid PC sid	CHEBI DrugBank MMDB PC cid PC sid PDB		-5.61	n/a	n/a	4.11	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50240369	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.53	n/a	n/a	4.04	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50225188	PC cid PC sid	MMDB PC cid PC sid		-5.23	n/a	n/a	3.83	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM50094702	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-7.94	n/a	n/a	5.83	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36301	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.67	n/a	n/a	4.90	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM36302	PC cid PC sid	PC cid PC sid		-4.96	n/a	n/a	3.63	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)
BDBM36284	BDBM197285	PC cid PC sid	PC cid PC sid		-9.60	-2.36	-7.17	7	7	26.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM36284	BDBM197286	PC cid PC sid	PC cid PC sid		-8.98	-4.80	-4.30	6.56	7	26.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)