BDBM19416 N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide::benzamide-type inhibitor, 12
SMILES: COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccsc2)cc1OC
InChI Key: InChIKey=UNOOGJYMFIKMBO-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM19416 (N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc | Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... | J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM19416 (N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | 8.0 | 37 |
MethylGene Inc | Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add... | J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2 | |||||||||||
More data for this Ligand-Target Pair |