BDBM50197925 CHEMBL3905213

SMILES: O[C@@H](CNc1nc(NC2CCCCC2)nc(n1)C#N)c1ccccc1

InChI Key: InChIKey=MQPFSCOBQLFTCQ-HNNXBMFYSA-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 = 50197925   

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))	BDBM50197925 (CHEMBL3905213) Show SMILES O[C@@H](CNc1nc(NC2CCCCC2)nc(n1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H22N6O/c19-11-16-22-17(20-12-15(25)13-7-3-1-4-8-13)24-18(23-16)21-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,25H,2,5-6,9-10,12H2,(H2,20,21,22,23,24)/t15-/m0/s1	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	70	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 S (Homo sapiens (Human))	BDBM50197925 (CHEMBL3905213) Show SMILES O[C@@H](CNc1nc(NC2CCCCC2)nc(n1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H22N6O/c19-11-16-22-17(20-12-15(25)13-7-3-1-4-8-13)24-18(23-16)21-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,25H,2,5-6,9-10,12H2,(H2,20,21,22,23,24)/t15-/m0/s1	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 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