BDBM50304290 2-Amino-6,7-dibenzyloxy-1-(4-methoxyphenyl)-2Hisoquinolin-3-one::CHEMBL603639

SMILES: COc1ccc(cc1)-c1n(N)c(=O)cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12

InChI Key: InChIKey=VYDRKZGLXMYJQK-UHFFFAOYSA-N

Data: 3 KI

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 = 50304290   

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
Cathepsin B (Homo sapiens (Human))	BDBM50304290 (2-Amino-6,7-dibenzyloxy-1-(4-methoxyphenyl)-2Hisoq...) Show SMILES COc1ccc(cc1)-c1n(N)c(=O)cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12 Show InChI InChI=1S/C30H26N2O4/c1-34-25-14-12-23(13-15-25)30-26-18-28(36-20-22-10-6-3-7-11-22)27(16-24(26)17-29(33)32(30)31)35-19-21-8-4-2-5-9-21/h2-18H,19-20,31H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem 17: 6505-11 (2009) Article DOI: 10.1016/j.bmc.2009.08.013 BindingDB Entry DOI: 10.7270/Q29C6ZC0
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50304290 (2-Amino-6,7-dibenzyloxy-1-(4-methoxyphenyl)-2Hisoq...) Show SMILES COc1ccc(cc1)-c1n(N)c(=O)cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12 Show InChI InChI=1S/C30H26N2O4/c1-34-25-14-12-23(13-15-25)30-26-18-28(36-20-22-10-6-3-7-11-22)27(16-24(26)17-29(33)32(30)31)35-19-21-8-4-2-5-9-21/h2-18H,19-20,31H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain				Bioorg Med Chem 17: 6505-11 (2009) Article DOI: 10.1016/j.bmc.2009.08.013 BindingDB Entry DOI: 10.7270/Q29C6ZC0
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50304290 (2-Amino-6,7-dibenzyloxy-1-(4-methoxyphenyl)-2Hisoq...) Show SMILES COc1ccc(cc1)-c1n(N)c(=O)cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12 Show InChI InChI=1S/C30H26N2O4/c1-34-25-14-12-23(13-15-25)30-26-18-28(36-20-22-10-6-3-7-11-22)27(16-24(26)17-29(33)32(30)31)35-19-21-8-4-2-5-9-21/h2-18H,19-20,31H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem 17: 6505-11 (2009) Article DOI: 10.1016/j.bmc.2009.08.013 BindingDB Entry DOI: 10.7270/Q29C6ZC0
					More data for this Ligand-Target Pair