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SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])-[#7]-[#6]-1=O
InChI Key: InChIKey=CGGSYGIUDPYWMV-VMXMFDLUSA-N
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 1 (Homo sapiens (Human)) | BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay | J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay | J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) | 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 | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay | J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay | J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK | |||||||||||
More data for this Ligand-Target Pair |