BDBM50042858 CHEMBL3354493

SMILES: CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N

InChI Key: InChIKey=LUHJTZQBKQQNIT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50042858   

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))	BDBM50042858 (CHEMBL3354493) Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate				Bioorg Med Chem Lett 25: 438-43 (2015) Article DOI: 10.1016/j.bmcl.2014.12.057 BindingDB Entry DOI: 10.7270/Q20G3MSB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50042858 (CHEMBL3354493) Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Cathepsin L using fluorogenic peptide substrate				Bioorg Med Chem Lett 25: 438-43 (2015) Article DOI: 10.1016/j.bmcl.2014.12.057 BindingDB Entry DOI: 10.7270/Q20G3MSB
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50042858 (CHEMBL3354493) Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Cathepsin B using fluorogenic peptide substrate				Bioorg Med Chem Lett 25: 438-43 (2015) Article DOI: 10.1016/j.bmcl.2014.12.057 BindingDB Entry DOI: 10.7270/Q20G3MSB
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50042858 (CHEMBL3354493) Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Cathepsin C using fluorogenic peptide substrate				Bioorg Med Chem Lett 25: 438-43 (2015) Article DOI: 10.1016/j.bmcl.2014.12.057 BindingDB Entry DOI: 10.7270/Q20G3MSB
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50042858 (CHEMBL3354493) Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Cathepsin K using fluorogenic peptide substrate				Bioorg Med Chem Lett 25: 438-43 (2015) Article DOI: 10.1016/j.bmcl.2014.12.057 BindingDB Entry DOI: 10.7270/Q20G3MSB
					More data for this Ligand-Target Pair