BDBM19868 (2R)-N-(Cyanomethyl)-4-methyl-2-[4 -(1H-tetraazol-5-yl)-1,1 -biphenyl-3-yl]pentanamide::(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}pentanamide::Nonpeptidic Biaryl Nitrile Compound, 32
SMILES: CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1nnn[nH]1
InChI Key: InChIKey=IZVXQDSUTXTQBO-LJQANCHMSA-N
Data: 4 IC50
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)) | BDBM19868 ((2R)-N-(Cyanomethyl)-4-methyl-2-[4 -(1H-tetraazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.58E+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 | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19868 ((2R)-N-(Cyanomethyl)-4-methyl-2-[4 -(1H-tetraazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | 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)) | BDBM19868 ((2R)-N-(Cyanomethyl)-4-methyl-2-[4 -(1H-tetraazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19868 ((2R)-N-(Cyanomethyl)-4-methyl-2-[4 -(1H-tetraazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | 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 |