BindingDB PrimarySearch

BDBM19855 Balicatib::CHEMBL371064::N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)::N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propylpiperazin-1-yl)benzamide::basic piperazine-containing compound, 10

SMILES: CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N

InChI Key: InChIKey=LLCRBOWRJOUJAE-UHFFFAOYSA-N

Data: 8 KI 15 IC50 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 19855
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cathepsin D (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate				J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB
Celera Genomics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay				J Med Chem 58: 6928-37 (2015) BindingDB Entry DOI: 10.7270/Q2BK1F44
National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Procathepsin L (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	503	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay				J Med Chem 58: 6928-37 (2015) BindingDB Entry DOI: 10.7270/Q2BK1F44
National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-Phe-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins				ACS Med Chem Lett 5: 1076-81 (2014) Article DOI: 10.1021/ml500238q BindingDB Entry DOI: 10.7270/Q20P11NT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin-S using Z-Phe-Val-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay				J Med Chem 58: 6928-37 (2015) BindingDB Entry DOI: 10.7270/Q2BK1F44
National Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatB assessed as suppression of enzyme-mediated Z-Arg-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human ramos cells				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of cathepsin L in human HepG2 cells				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rabbit cathepsin K				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin B (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of cathepsin B in human HepG2 cells				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin-k				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin K				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin S (Mus musculus (Mouse))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.35E+3	n/a	480	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 48: 7535-43 (2005) Article DOI: 10.1021/jm0504961 BindingDB Entry DOI: 10.7270/Q28S4N63
Merck Frosst Centre for Therapeutic Research					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	97	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 48: 7535-43 (2005) Article DOI: 10.1021/jm0504961 BindingDB Entry DOI: 10.7270/Q28S4N63
Merck Frosst Centre for Therapeutic Research					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	2.90E+3	n/a	n/a	6.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 48: 7535-43 (2005) Article DOI: 10.1021/jm0504961 BindingDB Entry DOI: 10.7270/Q28S4N63
Merck Frosst Centre for Therapeutic Research					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	61	n/a	n/a	6.0	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 48: 7535-43 (2005) Article DOI: 10.1021/jm0504961 BindingDB Entry DOI: 10.7270/Q28S4N63
Merck Frosst Centre for Therapeutic Research					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 48: 7535-43 (2005) Article DOI: 10.1021/jm0504961 BindingDB Entry DOI: 10.7270/Q28S4N63
Merck Frosst Centre for Therapeutic Research					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19855 (Balicatib \| CHEMBL371064 \| N-[1-(cyanomethylcarbam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	503	n/a	48	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 48: 7535-43 (2005) Article DOI: 10.1021/jm0504961 BindingDB Entry DOI: 10.7270/Q28S4N63
Merck Frosst Centre for Therapeutic Research					More data for this Ligand-Target Pair