BDBM50128815 CHEMBL3629197

SMILES: COc1ccc(cc1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(OC)cc1

InChI Key: InChIKey=POBANERANRCCET-NJNXFGOHSA-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 = 50128815   

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))	BDBM50128815 (CHEMBL3629197) Show SMILES COc1ccc(cc1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(OC)cc1 Show InChI InChI=1S/C23H21N3O3S/c1-28-19-10-6-15(7-11-19)21(25-26-23(24)30)17-4-3-5-18(14-17)22(27)16-8-12-20(29-2)13-9-16/h3-14H,1-2H3,(H3,24,26,30)/b25-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Z-RR-AMC as substrate after 5 mins by fluorescence assay				Bioorg Med Chem 23: 6974-92 (2015) BindingDB Entry DOI: 10.7270/Q2T43VX1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50128815 (CHEMBL3629197) Show SMILES COc1ccc(cc1)C(=O)c1cccc(c1)C(=N\NC(N)=S)\c1ccc(OC)cc1 Show InChI InChI=1S/C23H21N3O3S/c1-28-19-10-6-15(7-11-19)21(25-26-23(24)30)17-4-3-5-18(14-17)22(27)16-8-12-20(29-2)13-9-16/h3-14H,1-2H3,(H3,24,26,30)/b25-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay				Bioorg Med Chem 23: 6974-92 (2015) BindingDB Entry DOI: 10.7270/Q2T43VX1
					More data for this Ligand-Target Pair