BDBM50304289 1-(4-Methoxyphenyl)-6,7-methylenedioxy-2-(4-methylthiophenyl-ureido)-2H-isoquinolin-3-one::CHEMBL596265

SMILES: COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(SC)cc2)c(=O)cc2cc3OCOc3cc12

InChI Key: InChIKey=KDCNFQOPLAMXSF-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 = 50304289   

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
Procathepsin L (Homo sapiens (Human))	BDBM50304289 (1-(4-Methoxyphenyl)-6,7-methylenedioxy-2-(4-methyl...) Show SMILES COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(SC)cc2)c(=O)cc2cc3OCOc3cc12 Show InChI InChI=1S/C25H21N3O5S/c1-31-18-7-3-15(4-8-18)24-20-13-22-21(32-14-33-22)11-16(20)12-23(29)28(24)27-25(30)26-17-5-9-19(34-2)10-6-17/h3-13H,14H2,1-2H3,(H2,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	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
Cathepsin B (Homo sapiens (Human))	BDBM50304289 (1-(4-Methoxyphenyl)-6,7-methylenedioxy-2-(4-methyl...) Show SMILES COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(SC)cc2)c(=O)cc2cc3OCOc3cc12 Show InChI InChI=1S/C25H21N3O5S/c1-31-18-7-3-15(4-8-18)24-20-13-22-21(32-14-33-22)11-16(20)12-23(29)28(24)27-25(30)26-17-5-9-19(34-2)10-6-17/h3-13H,14H2,1-2H3,(H2,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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)	BDBM50304289 (1-(4-Methoxyphenyl)-6,7-methylenedioxy-2-(4-methyl...) Show SMILES COc1ccc(cc1)-c1n(NC(=O)Nc2ccc(SC)cc2)c(=O)cc2cc3OCOc3cc12 Show InChI InChI=1S/C25H21N3O5S/c1-31-18-7-3-15(4-8-18)24-20-13-22-21(32-14-33-22)11-16(20)12-23(29)28(24)27-25(30)26-17-5-9-19(34-2)10-6-17/h3-13H,14H2,1-2H3,(H2,26,27,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+4	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