BDBM50309933 6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipentyl-tetradecahydro-3a,6,9,12-tetraaza-cyclopentacyclododecen-11-yl)-hexanoic acid hydroxyamide::CHEMBL589906
SMILES: CCCCC[C@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O
InChI Key: InChIKey=IYOLVIFIJXUYFW-CLAROIROSA-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 1 (Homo sapiens (Human)) | BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rajshahi Curated by ChEMBL | Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP... | Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rajshahi Curated by ChEMBL | Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP... | Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering Curated by ChEMBL | Assay Description Inhibition of HDAC6 | Bioorg Med Chem Lett 20: 997-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.054 BindingDB Entry DOI: 10.7270/Q2BC3ZNR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering Curated by ChEMBL | Assay Description Inhibition of HDAC1 | Bioorg Med Chem Lett 20: 997-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.054 BindingDB Entry DOI: 10.7270/Q2BC3ZNR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Graduate School of Life Science and Systems Engineering Curated by ChEMBL | Assay Description Inhibition of HDAC4 | Bioorg Med Chem Lett 20: 997-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.054 BindingDB Entry DOI: 10.7270/Q2BC3ZNR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Mus musculus) | BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rajshahi Curated by ChEMBL | Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP... | Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953 | |||||||||||
More data for this Ligand-Target Pair |