BDBM50140176 CHEMBL3394285
SMILES: ONC(=O)\C=C\c1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=ABKAFUZUCJSIKV-ZZXKWVIFSA-N
Data: 22 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 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of full length C-terminal GST-tagged human HDAC1 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant TACE expressed in Sf21 cells using MCA-PLAQAV-Dpa-RSSSR-NH2 as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of full length C-terminal His-tagged human HDAC3 expressed in baculovirus expression system using (Arg-His-Lys-Lys(Ac)) as substrate by pl... | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human HDAC4 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate... | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of full length N-terminal GST-tagged human HDAC5 expressed in Sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate reader ... | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate... | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 954 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of full length human HDAC8 expressed in Escherichia coli using (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by plate reader analysis | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged human HDAC9 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate... | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 10 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human HDAC10 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 11 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human HDAC11 expressed in baculovirus expression system using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader ... | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP1 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP1 expressed in yeast using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP3 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP7 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP8 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP9 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 10 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP10 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP12 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP14 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50140176 (CHEMBL3394285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of full length C-terminal His-tagged human HDAC2 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis | Bioorg Med Chem 24: 686-92 (2016) BindingDB Entry DOI: 10.7270/Q2Q52RG0 | |||||||||||
More data for this Ligand-Target Pair |