BDBM50376501 CHEMBL408974

SMILES: CC(C)(C)CN(Cc1ccc(cc1)C#CCN1CCCCC1)c1ccnc(n1)C#N

InChI Key: InChIKey=VIPWAQIMALYFOF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50376501   

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))	BDBM50376501 (CHEMBL408974) Show SMILES CC(C)(C)CN(Cc1ccc(cc1)C#CCN1CCCCC1)c1ccnc(n1)C#N Show InChI InChI=1S/C25H31N5/c1-25(2,3)20-30(24-13-14-27-23(18-26)28-24)19-22-11-9-21(10-12-22)8-7-17-29-15-5-4-6-16-29/h9-14H,4-6,15-17,19-20H2,1-3H3	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	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50376501 (CHEMBL408974) Show SMILES CC(C)(C)CN(Cc1ccc(cc1)C#CCN1CCCCC1)c1ccnc(n1)C#N Show InChI InChI=1S/C25H31N5/c1-25(2,3)20-30(24-13-14-27-23(18-26)28-24)19-22-11-9-21(10-12-22)8-7-17-29-15-5-4-6-16-29/h9-14H,4-6,15-17,19-20H2,1-3H3	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50376501 (CHEMBL408974) Show SMILES CC(C)(C)CN(Cc1ccc(cc1)C#CCN1CCCCC1)c1ccnc(n1)C#N Show InChI InChI=1S/C25H31N5/c1-25(2,3)20-30(24-13-14-27-23(18-26)28-24)19-22-11-9-21(10-12-22)8-7-17-29-15-5-4-6-16-29/h9-14H,4-6,15-17,19-20H2,1-3H3	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
					More data for this Ligand-Target Pair