null

SMILES: O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1

InChI Key: InChIKey=NEWCBLDMKSRBBC-WOJBJXKFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50390406   

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 B (Homo sapiens (Human))	BDBM50390406 (CHEMBL2069324) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O2S/c26-17-25(10-11-25)28-22(31)19-8-4-5-9-20(19)23(32)29-12-14-30(15-13-29)24-27-21(16-33-24)18-6-2-1-3-7-18/h1-3,6-7,16,19-20H,4-5,8-15H2,(H,28,31)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+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))	BDBM50390406 (CHEMBL2069324) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O2S/c26-17-25(10-11-25)28-22(31)19-8-4-5-9-20(19)23(32)29-12-14-30(15-13-29)24-27-21(16-33-24)18-6-2-1-3-7-18/h1-3,6-7,16,19-20H,4-5,8-15H2,(H,28,31)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	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
Cathepsin S (Homo sapiens (Human))	BDBM50390406 (CHEMBL2069324) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O2S/c26-17-25(10-11-25)28-22(31)19-8-4-5-9-20(19)23(32)29-12-14-30(15-13-29)24-27-21(16-33-24)18-6-2-1-3-7-18/h1-3,6-7,16,19-20H,4-5,8-15H2,(H,28,31)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+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
Procathepsin L (Homo sapiens (Human))	BDBM50390406 (CHEMBL2069324) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O2S/c26-17-25(10-11-25)28-22(31)19-8-4-5-9-20(19)23(32)29-12-14-30(15-13-29)24-27-21(16-33-24)18-6-2-1-3-7-18/h1-3,6-7,16,19-20H,4-5,8-15H2,(H,28,31)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 K (Homo sapiens (Human))	BDBM50390406 (CHEMBL2069324) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O2S/c26-17-25(10-11-25)28-22(31)19-8-4-5-9-20(19)23(32)29-12-14-30(15-13-29)24-27-21(16-33-24)18-6-2-1-3-7-18/h1-3,6-7,16,19-20H,4-5,8-15H2,(H,28,31)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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