BDBM50300549 2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium chloride::CHEMBL575979

SMILES: COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC

InChI Key: InChIKey=HVTCKKMWZDDWOY-UHFFFAOYSA-O

Data: 3 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 3 hits for monomerid = 50300549   

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
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM50300549 (2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...) Show SMILES COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50300549 (2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...) Show SMILES COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 4-estradiol as substrate in presence ...				Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1 (Homo sapiens (Human))	BDBM50300549 (2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...) Show SMILES COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+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