BDBM50390405 CHEMBL2070951

SMILES: O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1

InChI Key: InChIKey=VSLVCMQLWKKHKL-HZPDHXFCSA-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 = 50390405   

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
Procathepsin L (Homo sapiens (Human))	BDBM50390405 (CHEMBL2070951) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r| Show InChI InChI=1S/C22H26N6O2S/c23-14-22(6-7-22)26-19(29)15-3-1-2-4-16(15)20(30)27-9-11-28(12-10-27)21-25-17-13-24-8-5-18(17)31-21/h5,8,13,15-16H,1-4,6-7,9-12H2,(H,26,29)/t15-,16-/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	>1.00E+5	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 S (Homo sapiens (Human))	BDBM50390405 (CHEMBL2070951) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r| Show InChI InChI=1S/C22H26N6O2S/c23-14-22(6-7-22)26-19(29)15-3-1-2-4-16(15)20(30)27-9-11-28(12-10-27)21-25-17-13-24-8-5-18(17)31-21/h5,8,13,15-16H,1-4,6-7,9-12H2,(H,26,29)/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	>2.51E+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
Cathepsin K (Homo sapiens (Human))	BDBM50390405 (CHEMBL2070951) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r| Show InChI InChI=1S/C22H26N6O2S/c23-14-22(6-7-22)26-19(29)15-3-1-2-4-16(15)20(30)27-9-11-28(12-10-27)21-25-17-13-24-8-5-18(17)31-21/h5,8,13,15-16H,1-4,6-7,9-12H2,(H,26,29)/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	15.8	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
Cathepsin B (Homo sapiens (Human))	BDBM50390405 (CHEMBL2070951) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r| Show InChI InChI=1S/C22H26N6O2S/c23-14-22(6-7-22)26-19(29)15-3-1-2-4-16(15)20(30)27-9-11-28(12-10-27)21-25-17-13-24-8-5-18(17)31-21/h5,8,13,15-16H,1-4,6-7,9-12H2,(H,26,29)/t15-,16-/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	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 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50390405 (CHEMBL2070951) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1 |r| Show InChI InChI=1S/C22H26N6O2S/c23-14-22(6-7-22)26-19(29)15-3-1-2-4-16(15)20(30)27-9-11-28(12-10-27)21-25-17-13-24-8-5-18(17)31-21/h5,8,13,15-16H,1-4,6-7,9-12H2,(H,26,29)/t15-,16-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				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