BDBM50392214 CHEMBL2153167

SMILES: CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N

InChI Key: InChIKey=BBRREBFQRGNSAL-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50392214   

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))	BDBM50392214 (CHEMBL2153167) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50392214 (CHEMBL2153167) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50392214 (CHEMBL2153167) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50392214 (CHEMBL2153167) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(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	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50392214 (CHEMBL2153167) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(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	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
					More data for this Ligand-Target Pair