BDBM19856 (2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide::CHEMBL184514::JMC463709 (R)-2::piperazine-containing compound, 11
SMILES: CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
InChI Key: InChIKey=AQPCFTUFFUSBNZ-HSZRJFAPSA-N
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)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics Curated by ChEMBL | Assay Description Inhibition of human cathepsin K | Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics Curated by ChEMBL | Assay Description Inhibition of human cathepsin S | Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics Curated by ChEMBL | Assay Description Inhibition of human cathepsin B | Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics Curated by ChEMBL | Assay Description Inhibition of human cathepsin L | Bioorg Med Chem Lett 16: 4296-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Mus musculus (Mouse)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.41E+4 | n/a | 740 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 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 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 3.73E+3 | n/a | n/a | 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 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 2.01E+3 | n/a | n/a | 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 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 3.95E+3 | n/a | n/a | 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 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 3.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin B | Bioorg Med Chem Lett 14: 4291-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.087 BindingDB Entry DOI: 10.7270/Q2765DS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin L | Bioorg Med Chem Lett 14: 4291-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.087 BindingDB Entry DOI: 10.7270/Q2765DS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin S | Bioorg Med Chem Lett 14: 4291-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.087 BindingDB Entry DOI: 10.7270/Q2765DS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory concentration against human cathepsin K | Bioorg Med Chem Lett 14: 4291-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.087 BindingDB Entry DOI: 10.7270/Q2765DS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory concentration against humanized rabbit cathepsin K | Bioorg Med Chem Lett 14: 4291-5 (2004) Article DOI: 10.1016/j.bmcl.2004.05.087 BindingDB Entry DOI: 10.7270/Q2765DS1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 3.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin B from human | Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin L from human | Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin S from human | Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin K using humanized rabbit enzyme | Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 33 | n/a | 149 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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+4 | n/a | 1.34E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 8.60E+4 | n/a | 4.40E+3 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.80 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) | 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 | 2.60E+3 | n/a | 320 | 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 | |||||||||||
More data for this Ligand-Target Pair |