BDBM50314643 (E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperidin-1-ylmethyl]-3-fluorophenyl}-N-hydroxyacrylamide::CHEMBL1093335
SMILES: CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2F)C1
InChI Key: InChIKey=ILQPFWGPYWQTHJ-VSFZPWCASA-N
Data: 6 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)) | BDBM50314643 ((E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of HDAC2 expressed in baculovirus system by fluorescent assay | J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50314643 ((E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperi...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged HDAC3 expressed in HEK293 cells by fluorescent assay | J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50314643 ((E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay | J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50314643 ((E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of FLAG-tagged HDAC6 expressed in HEK293 cells by fluorescent assay | J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50314643 ((E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 364 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of HDAC8 expressed in baculovirus system by fluorescent assay | J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50314643 ((E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of HDAC4 expressed in baculovirus system by fluorescent assay | J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC | |||||||||||
More data for this Ligand-Target Pair |