BDBM22062 9-(cyclohexylmethyl)-6-{[(3-methylphenyl)methyl]amino}-9H-purine-2-carbonitrile::Compound 3{7,15}
SMILES: Cc1cccc(CNc2nc(nc3n(CC4CCCCC4)cnc23)C#N)c1
InChI Key: InChIKey=DYRCMJNRMRURAG-UHFFFAOYSA-N
Data: 1 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 |
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Cathepsin B-Like Cysteine Protease (TbcatB) (Trypanosoma brucei) | BDBM22062 (9-(cyclohexylmethyl)-6-{[(3-methylphenyl)methyl]am...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | 5.5 | 22 |
University of California at San Francisco | Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio... | J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0 | |||||||||||
More data for this Ligand-Target Pair |