BDBM19859 (2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide::phenyl-containing analogue, 14
SMILES: O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1
InChI Key: InChIKey=SOFNUHHKAHJEAL-INIZCTEOSA-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 (Oryctolagus cuniculus (rabbit)) | BDBM19859 ((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.03E+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 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)) | BDBM19859 ((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 55 | n/a | 230 | 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 (Mus musculus (Mouse)) | BDBM19859 ((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | n/a | 40 | 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 S (Homo sapiens (Human)) | BDBM19859 ((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.30 | n/a | 10 | 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)) | BDBM19859 ((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+4 | n/a | 940 | 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 |