BDBM50197890 CHEMBL3930949

SMILES: COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1

InChI Key: InChIKey=IZZLPBCQUIYOGB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50197890   

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 S (Homo sapiens (Human))	BDBM50197890 (CHEMBL3930949) Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1 Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50197890 (CHEMBL3930949) Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1 Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)	PDB MMDB 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	45	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50197890 (CHEMBL3930949) Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1 Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50197890 (CHEMBL3930949) Show SMILES COc1ccc(Nc2nc(nc(n2)N2CCNCC2)C#N)cc1 Show InChI InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)18-14-19-13(10-16)20-15(21-14)22-8-6-17-7-9-22/h2-5,17H,6-9H2,1H3,(H,18,19,20,21)	PDB MMDB 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	17	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair