BDBM50113967 CHEMBL3605497
SMILES: Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2cccc(F)c2)cc1
InChI Key: InChIKey=OXEVGGGODZSGHA-UHFFFAOYSA-N
Data: 4 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)) | BDBM50113967 (CHEMBL3605497) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay | J Med Chem 58: 6803-18 (2015) BindingDB Entry DOI: 10.7270/Q26T0PFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50113967 (CHEMBL3605497) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b... | J Med Chem 58: 6803-18 (2015) BindingDB Entry DOI: 10.7270/Q26T0PFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human)) | BDBM50113967 (CHEMBL3605497) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay | J Med Chem 58: 6803-18 (2015) BindingDB Entry DOI: 10.7270/Q26T0PFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50113967 (CHEMBL3605497) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo... | J Med Chem 58: 6803-18 (2015) BindingDB Entry DOI: 10.7270/Q26T0PFV | |||||||||||
More data for this Ligand-Target Pair |