BDBM50395227 CHEMBL2164675

SMILES: CN1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N

InChI Key: InChIKey=AMBNSCOYCMLIBF-CHWSQXEVSA-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 = 50395227   

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))	BDBM50395227 (CHEMBL2164675) Show SMILES CN1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C15H24N4O2/c1-18-8-10-19(11-9-18)15(21)13-5-3-2-4-12(13)14(20)17-7-6-16/h12-13H,2-5,7-11H2,1H3,(H,17,20)/t12-,13-/m1/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	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatS assessed as suppression of enzyme-mediated Z-Val-Val-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50395227 (CHEMBL2164675) Show SMILES CN1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C15H24N4O2/c1-18-8-10-19(11-9-18)15(21)13-5-3-2-4-12(13)14(20)17-7-6-16/h12-13H,2-5,7-11H2,1H3,(H,17,20)/t12-,13-/m1/s1	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	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatB assessed as suppression of enzyme-mediated Z-Arg-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395227 (CHEMBL2164675) Show SMILES CN1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C15H24N4O2/c1-18-8-10-19(11-9-18)15(21)13-5-3-2-4-12(13)14(20)17-7-6-16/h12-13H,2-5,7-11H2,1H3,(H,17,20)/t12-,13-/m1/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	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50395227 (CHEMBL2164675) Show SMILES CN1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C15H24N4O2/c1-18-8-10-19(11-9-18)15(21)13-5-3-2-4-12(13)14(20)17-7-6-16/h12-13H,2-5,7-11H2,1H3,(H,17,20)/t12-,13-/m1/s1	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatL assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair