BindingDB logo
myBDB logout

BDBM65524 (-)-Aricine::Heterophylline (VAN)::Quinovatine

SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12

InChI Key: InChIKey=KXEMQEGRZWUKJS-RURTYGRKSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 65524   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM65524
PNG
((-)-Aricine | Heterophylline (VAN) | Quinovatine)
Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.77E+4n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin C-terminal Hydrolase L3 (UCH-L3)


(Homo sapiens (Human))
BDBM65524
PNG
((-)-Aricine | Heterophylline (VAN) | Quinovatine)
Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 15


(Homo sapiens (Human))
BDBM65524
PNG
((-)-Aricine | Heterophylline (VAN) | Quinovatine)
Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM65524
PNG
((-)-Aricine | Heterophylline (VAN) | Quinovatine)
Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L5


(Homo sapiens (Human))
BDBM65524
PNG
((-)-Aricine | Heterophylline (VAN) | Quinovatine)
Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.14E+5n/an/an/an/a7.525



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair