BDBM50417991 CHEMBL1672425

SMILES: Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N

InChI Key: InChIKey=XCTNQGKKNUPDFM-SNVBAGLBSA-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 = 50417991   

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
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50417991 (CHEMBL1672425) Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r| Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin C after 1 hr				ACS Med Chem Lett 2: 142-147 (2011) Article DOI: 10.1021/ml100212k BindingDB Entry DOI: 10.7270/Q2RX9DBM
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50417991 (CHEMBL1672425) Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r| Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/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	7.94	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K after 1 hr				ACS Med Chem Lett 2: 142-147 (2011) Article DOI: 10.1021/ml100212k BindingDB Entry DOI: 10.7270/Q2RX9DBM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50417991 (CHEMBL1672425) Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r| Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/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	316	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S after 1 hr				ACS Med Chem Lett 2: 142-147 (2011) Article DOI: 10.1021/ml100212k BindingDB Entry DOI: 10.7270/Q2RX9DBM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50417991 (CHEMBL1672425) Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r| Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin B after 1 hr				ACS Med Chem Lett 2: 142-147 (2011) Article DOI: 10.1021/ml100212k BindingDB Entry DOI: 10.7270/Q2RX9DBM
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50417991 (CHEMBL1672425) Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r| Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/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	39.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L after 1 hr				ACS Med Chem Lett 2: 142-147 (2011) Article DOI: 10.1021/ml100212k BindingDB Entry DOI: 10.7270/Q2RX9DBM
					More data for this Ligand-Target Pair