null

SMILES: O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCCc2s1

InChI Key: InChIKey=GAMGSFAKPXWRGV-HZPDHXFCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50390401   

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 K (Homo sapiens (Human))	BDBM50390401 (CHEMBL2071096) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCCc2s1 |r| Show InChI InChI=1S/C22H29N5O2S/c23-14-22(8-9-22)25-19(28)15-4-1-2-5-16(15)20(29)26-10-12-27(13-11-26)21-24-17-6-3-7-18(17)30-21/h15-16H,1-13H2,(H,25,28)/t15-,16-/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	12.6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent res...				Bioorg Med Chem Lett 22: 5563-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.012 BindingDB Entry DOI: 10.7270/Q2DF6S86
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50390401 (CHEMBL2071096) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCCc2s1 |r| Show InChI InChI=1S/C22H29N5O2S/c23-14-22(8-9-22)25-19(28)15-4-1-2-5-16(15)20(29)26-10-12-27(13-11-26)21-24-17-6-3-7-18(17)30-21/h15-16H,1-13H2,(H,25,28)/t15-,16-/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	>5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent res...				Bioorg Med Chem Lett 22: 5563-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.012 BindingDB Entry DOI: 10.7270/Q2DF6S86
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50390401 (CHEMBL2071096) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCCc2s1 |r| Show InChI InChI=1S/C22H29N5O2S/c23-14-22(8-9-22)25-19(28)15-4-1-2-5-16(15)20(29)26-10-12-27(13-11-26)21-24-17-6-3-7-18(17)30-21/h15-16H,1-13H2,(H,25,28)/t15-,16-/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin B using Z-Arg-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent res...				Bioorg Med Chem Lett 22: 5563-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.012 BindingDB Entry DOI: 10.7270/Q2DF6S86
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50390401 (CHEMBL2071096) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCCc2s1 |r| Show InChI InChI=1S/C22H29N5O2S/c23-14-22(8-9-22)25-19(28)15-4-1-2-5-16(15)20(29)26-10-12-27(13-11-26)21-24-17-6-3-7-18(17)30-21/h15-16H,1-13H2,(H,25,28)/t15-,16-/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	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S using Z-Val-Val-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent...				Bioorg Med Chem Lett 22: 5563-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.012 BindingDB Entry DOI: 10.7270/Q2DF6S86
					More data for this Ligand-Target Pair