BDBM50503692 CHEMBL4437833
SMILES: Cc1ncc(cn1)-c1ccc(cc1)C(C(=O)NO)c1ccccc1F
InChI Key: InChIKey=SFXMVIQZYOMYOF-UHFFFAOYSA-N
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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1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50503692 (CHEMBL4437833) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Displacement of [3H]dofetilide from recombinant human ERG after 60 mins by scintillation counting method | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-Gly-Lys(Ac) as substrate... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293 cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substr... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Binding affinity to HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) by surface plasmon resonance analysis | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measure... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence as... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human C-terminal His-tagged HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using Boc-... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human full length C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Lys-Ac-AMC as substrate mea... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50503692 (CHEMBL4437833) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substra... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair |