BDBM50042851 CHEMBL3354499

SMILES: CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=SRZWDJLAFGSPHH-ALOLOFKDSA-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 = 50042851   

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))	BDBM50042851 (CHEMBL3354499) Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/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	>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))	BDBM50042851 (CHEMBL3354499) Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/m0/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	>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))	BDBM50042851 (CHEMBL3354499) Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/m0/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	>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))	BDBM50042851 (CHEMBL3354499) Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/m0/s1	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))	BDBM50042851 (CHEMBL3354499) Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/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	>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