BDBM50197886 CHEMBL3936923

SMILES: Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1

InChI Key: InChIKey=NJKWZQGOBIFPBG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50197886   

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 K (Homo sapiens (Human))	BDBM50197886 (CHEMBL3936923) Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1 Show InChI InChI=1S/C16H19N7/c1-12-3-2-4-13(9-12)11-19-15-20-14(10-17)21-16(22-15)23-7-5-18-6-8-23/h2-4,9,18H,5-8,11H2,1H3,(H,19,20,21,22)	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	23	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
Cathepsin B (Homo sapiens (Human))	BDBM50197886 (CHEMBL3936923) Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1 Show InChI InChI=1S/C16H19N7/c1-12-3-2-4-13(9-12)11-19-15-20-14(10-17)21-16(22-15)23-7-5-18-6-8-23/h2-4,9,18H,5-8,11H2,1H3,(H,19,20,21,22)	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	57	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 S (Homo sapiens (Human))	BDBM50197886 (CHEMBL3936923) Show SMILES Cc1cccc(CNc2nc(nc(n2)N2CCNCC2)C#N)c1 Show InChI InChI=1S/C16H19N7/c1-12-3-2-4-13(9-12)11-19-15-20-14(10-17)21-16(22-15)23-7-5-18-6-8-23/h2-4,9,18H,5-8,11H2,1H3,(H,19,20,21,22)	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