BDBM22094 6-{[(3,4-dichlorophenyl)methyl]amino}-9-(2-hydroxyethyl)-9H-purine-2-carbonitrile::Compound 3{12,1}
SMILES: OCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
InChI Key: InChIKey=OIVPGGBPPXWQMY-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) | BDBM22094 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(2-hydroxy...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
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 |