BDBM50164514 CHEMBL3799728

SMILES: ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F

InChI Key: InChIKey=CCCMMGJIXOMUTG-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50164514   

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))	BDBM50164514 (CHEMBL3799728) Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50164514 (CHEMBL3799728) Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164514 (CHEMBL3799728) Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay				Bioorg Med Chem 25: 2105-2132 (2017) Article DOI: 10.1016/j.bmc.2017.02.020 BindingDB Entry DOI: 10.7270/Q2PG1V0C
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164514 (CHEMBL3799728) Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164514 (CHEMBL3799728) Show SMILES ONC(=O)c1ccc(c(NC(=O)c2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3/c16-15(17,18)11-7-6-10(14(22)20-23)8-12(11)19-13(21)9-4-2-1-3-5-9/h1-8,23H,(H,19,21)(H,20,22)	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	342	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair