BDBM50354088 CHEMBL1836142
SMILES: CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O
InChI Key: InChIKey=VJXBYUITQBTTQM-DSRNDQRRSA-N
Data: 10 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 7 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC7 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | J Nat Prod 74: 2031-8 (2011) Article DOI: 10.1021/np200324x BindingDB Entry DOI: 10.7270/Q2MW2HJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC8 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | J Nat Prod 74: 2031-8 (2011) Article DOI: 10.1021/np200324x BindingDB Entry DOI: 10.7270/Q2MW2HJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC9 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | J Nat Prod 74: 2031-8 (2011) Article DOI: 10.1021/np200324x BindingDB Entry DOI: 10.7270/Q2MW2HJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC3/NCOR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | J Nat Prod 74: 2031-8 (2011) Article DOI: 10.1021/np200324x BindingDB Entry DOI: 10.7270/Q2MW2HJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | 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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC1 after 1 hr by luminescence assay | Medchemcomm 3: 976-981 (2012) Article DOI: 10.1039/c2md20024d BindingDB Entry DOI: 10.7270/Q21G0Q7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | 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 | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC6 using Boc-L-Lys(epsilon-acetyl)-AMC as substrate by two-step fluorogenic assay | J Nat Prod 74: 2031-8 (2011) Article DOI: 10.1021/np200324x BindingDB Entry DOI: 10.7270/Q2MW2HJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Mus musculus) | BDBM50354088 (CHEMBL1836142) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 992 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay | Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC4 after 1 hr by luminescence assay | Medchemcomm 3: 976-981 (2012) Article DOI: 10.1039/c2md20024d BindingDB Entry DOI: 10.7270/Q21G0Q7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | 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 | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC6 after 1 hr by luminescence assay | Medchemcomm 3: 976-981 (2012) Article DOI: 10.1039/c2md20024d BindingDB Entry DOI: 10.7270/Q21G0Q7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50354088 (CHEMBL1836142) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC4 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay | J Nat Prod 74: 2031-8 (2011) Article DOI: 10.1021/np200324x BindingDB Entry DOI: 10.7270/Q2MW2HJ9 | |||||||||||
More data for this Ligand-Target Pair |