Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.3 BDBM50300548

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM50300548 (3,4,10,11-Tetrahydroxy-8-methyl-isoquino[3,2-a]iso...) Show SMILES Cc1c2cc(O)c(O)cc2cc2c3ccc(O)c(O)c3cc[n+]12 Show InChI InChI=1S/C18H13NO4/c1-9-13-8-17(22)16(21)7-10(13)6-14-11-2-3-15(20)18(23)12(11)4-5-19(9)14/h2-8H,1H3,(H3,20,21,22,23)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exonhit Therapeutics Curated by ChEMBL					Assay Description Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay				Bioorg Med Chem Lett 19: 5594-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.037 BindingDB Entry DOI: 10.7270/Q27P8ZF4
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Homo sapiens (Human))	BDBM50300548 (3,4,10,11-Tetrahydroxy-8-methyl-isoquino[3,2-a]iso...) Show SMILES Cc1c2cc(O)c(O)cc2cc2c3ccc(O)c(O)c3cc[n+]12 Show InChI InChI=1S/C18H13NO4/c1-9-13-8-17(22)16(21)7-10(13)6-14-11-2-3-15(20)18(23)12(11)4-5-19(9)14/h2-8H,1H3,(H3,20,21,22,23)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exonhit Therapeutics Curated by ChEMBL					Assay Description Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay				Bioorg Med Chem Lett 19: 5594-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.037 BindingDB Entry DOI: 10.7270/Q27P8ZF4
					More data for this Ligand-Target Pair