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)	Ligand	Target/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	pH	Temp °C
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Homo sapiens (Human))	BDBM65524 ((-)-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/a	n/a	4.77E+4	n/a	n/a	n/a	n/a	7.5	25
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 ((-)-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/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a	7.5	25
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 ((-)-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/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a	7.5	25
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 ((-)-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/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a	7.5	25
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 ((-)-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/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a	7.5	25
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