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SMILES: COc1ccc2[nH]cc(CCN(Cc3ccc(cc3)C(=O)NO)C(=O)\C=C\c3ccc(O)c(OC)c3)c2c1
InChI Key:
| 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 3 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and meas... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and meas... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and meas... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and meas... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 771 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measure... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measure... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC2 (unknown origin) using Boc-Lys(Ac)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measure... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC8 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC8 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate additio... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50581678 (CHEMBL5072502) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant HDAC2 (unknown origin) using Boc-Lys(Ac)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measure... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01940 BindingDB Entry DOI: 10.7270/Q2WH2TVR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
