BDBM50300546 6,7-Dimethoxy-1-methyl-3-naphthalen-2-yl-isoquinolinium chloride::CHEMBL576002

SMILES: COc1cc2cc(nc(C)c2cc1OC)-c1ccc2ccccc2c1

InChI Key: InChIKey=LXETXRQVGAQVPI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50300546   

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
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1 (Homo sapiens (Human))	BDBM50300546 (6,7-Dimethoxy-1-methyl-3-naphthalen-2-yl-isoquinol...) Show SMILES COc1cc2cc(nc(C)c2cc1OC)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H19NO2/c1-14-19-13-22(25-3)21(24-2)12-18(19)11-20(23-14)17-9-8-15-6-4-5-7-16(15)10-17/h4-13H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+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
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM50300546 (6,7-Dimethoxy-1-methyl-3-naphthalen-2-yl-isoquinol...) Show SMILES COc1cc2cc(nc(C)c2cc1OC)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H19NO2/c1-14-19-13-22(25-3)21(24-2)12-18(19)11-20(23-14)17-9-8-15-6-4-5-7-16(15)10-17/h4-13H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	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