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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 KpHTemp
°C
BDBM36284
JPEG
BDBM50159250
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-6.933.60-10.65.15725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36285
JPEG
PC cid
PC sid
PC cid
PC sid
-6.596.98-13.64.86725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36286
JPEG
PC cid
PC sid
PC cid
PC sid
-6.594.40-11.04.82725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM26187
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-5.715.50-11.24.18725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36300
JPEG
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-5.025.98-11.03.61725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM50094702
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-7.192.60-9.795.26725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36304
JPEG
PC cid
PC sid
PC cid
PC sid
-5.9015.5-21.44.34725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM21974
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-6.213.90-10.14.53725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36291
JPEG
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
PDB
-4.907.48-12.43.62725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36305
JPEG
PC cid
PC sid
PC cid
PC sid
-6.9311.4-18.45.11725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36306
JPEG
PC cid
PC sid
PC cid
PC sid
-7.8118.0-25.85.75725



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36304
JPEG
PC cid
PC sid
PC cid
PC sid
-6.717.38-14.14.89727



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36305
JPEG
PC cid
PC sid
PC cid
PC sid
-6.406.40-12.84.70727



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36306
JPEG
PC cid
PC sid
PC cid
PC sid
-6.815.90-12.75727



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36307
JPEG
PC cid
PC sid
CHEBI
PC cid
PC sid
-6.938.60-15.65.08727



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36308
JPEG
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.8010.7-16.54.23727



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36309
JPEG
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.027.89-13.03.61727



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36311
JPEG
PC cid
PC sid
PC cid
PC sid
-7.91-4.50-3.395.76727



University of Cambridge





Chemistry 16: 13716-22 (2010)

BDBM36284
JPEG
BDBM36285
JPEG
PC cid
PC sid
PC cid
PC sid
-7.86n/an/a5.77725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36286
JPEG
PC cid
PC sid
PC cid
PC sid
-7.09n/an/a5.20725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50106187
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-5.63n/an/a4.11725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50249069
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-3.50n/an/a2.57725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36287
JPEG
PC cid
PC sid
PC cid
PC sid
-6.95n/an/a5.11725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36288
JPEG
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-6.65n/an/a4.88725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36289
JPEG
PC cid
PC sid
PC cid
PC sid
-6.45n/an/a4.73725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM26190
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-4.94n/an/a3.62725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36290
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-7.50n/an/a5.51725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36291
JPEG
PC cid
PC sid
KEGG
MMDB
PC cid
PC sid
PDB
-5.88n/an/a4.32725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM26189
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-5.06n/an/a3.72725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM26196
JPEG
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-4.78n/an/a3.51725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36292
JPEG
PC cid
PC sid
PC cid
PC sid
-7.77n/an/a5.70725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM26188
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-5.48n/an/a4725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36293
JPEG
PC cid
PC sid
MMDB
PC cid
PC sid
-5.19n/an/a3.81725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36294
JPEG
PC cid
PC sid
PC cid
PC sid
-5.07n/an/a3.72725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36295
JPEG
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-5.05n/an/a3.70725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50159250
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-7.88n/an/a5.79725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36296
JPEG
PC cid
PC sid
PC cid
PC sid
-7.09n/an/a5.20725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36297
JPEG
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.19n/an/a3.81725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36298
JPEG
PC cid
PC sid
MMDB
PC cid
PC sid
PDB
-4.48n/an/a3.28725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM23450
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-7.63n/an/a5.60725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50167952
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-6.51n/an/a4.78725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50150779
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-5.40n/an/a3.96725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36299
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-5.61n/an/a4.11725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM26187
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-5.93n/an/a4.34725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36300
JPEG
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-5.61n/an/a4.11725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50240369
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-5.53n/an/a4.04725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50225188
JPEG
PC cid
PC sid
MMDB
PC cid
PC sid
-5.23n/an/a3.83725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM50094702
JPEG
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-7.94n/an/a5.83725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36301
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-6.67n/an/a4.90725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM36302
JPEG
PC cid
PC sid
PC cid
PC sid
-4.96n/an/a3.63725



University of Cambridge





J Phys Chem B 114: 8606-15 (2010)

BDBM36284
JPEG
BDBM197285
JPEG
PC cid
PC sid
PC cid
PC sid
-9.60-2.36-7.177726.9



University of California San Diego





J Comput Aided Mol Des 26: 475-87 (2012)

BDBM36284
JPEG
BDBM197286
JPEG
PC cid
PC sid
PC cid
PC sid
-8.98-4.80-4.306.56726.9



University of California San Diego





J Comput Aided Mol Des 26: 475-87 (2012)