BDBM50222732 (5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin-2-yldisulfanyl)-pentyl]-decahydro-3a,6,9,12-tetraaza-cyclopentacyclododecene-4,7,10,13-tetraone::CHEMBL238829::cyclo(-L-Am7(S2Py)-Aib-L-Phe-D-Pro-)
SMILES: CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChI Key: InChIKey=GNIYZHFLRFNYMZ-KMDXXIMOSA-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 6 (Mus musculus) | BDBM50222732 ((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 40 | 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 mouse HDAC6 expressed in 293T cells | Bioorg Med Chem 15: 7830-9 (2007) Article DOI: 10.1016/j.bmc.2007.08.041 BindingDB Entry DOI: 10.7270/Q2BG2NQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50222732 ((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.90 | 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 human HDAC1 expressed in 293T cells | Bioorg Med Chem 15: 7830-9 (2007) Article DOI: 10.1016/j.bmc.2007.08.041 BindingDB Entry DOI: 10.7270/Q2BG2NQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50222732 ((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG 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 |
Graduate School of Life Science and Systems Engineering Curated by ChEMBL | Assay Description Inhibition of HDAC1 expressed in 293T cells | Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50222732 ((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 18 | 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 expressed in 293T cells | Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50222732 ((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 404 | 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 expressed in 293T cells | Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50222732 ((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80 | 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 human HDAC4 expressed in 293T cells | Bioorg Med Chem 15: 7830-9 (2007) Article DOI: 10.1016/j.bmc.2007.08.041 BindingDB Entry DOI: 10.7270/Q2BG2NQK | |||||||||||
More data for this Ligand-Target Pair |