BDBM50239822 CHEMBL4080343
SMILES: CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1
InChI Key: InChIKey=MFKWDGAIRDGDTG-UHFFFAOYSA-N
Data: 9 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 |
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Histone deacetylase 1/2/3/6 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1/2/3/6 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | 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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate ... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | 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 | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measu... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | 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 | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC8 expressed in Escherichia coli using Z-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate measured after 90 mins by... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1/2/3/6 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1/2/3/6 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas... | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50239822 (CHEMBL4080343) | 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 | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL | Assay Description Compound was tested for the binding affinity towards Nicotinic acetylcholine receptor | J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z | |||||||||||
More data for this Ligand-Target Pair |