BDBM50047967 CHEMBL3314861

SMILES: ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1

InChI Key: InChIKey=DQHBWINPWGGELF-OUKQBFOZSA-N

Data: 3 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 3 hits for monomerid = 50047967   

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))	BDBM50047967 (CHEMBL3314861) Show SMILES ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1 Show InChI InChI=1S/C23H19N3O3/c27-21(26-28)13-12-16-8-10-17(11-9-16)14-22-24-25-23(29-22)15-19-6-3-5-18-4-1-2-7-20(18)19/h1-13,28H,14-15H2,(H,26,27)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	25
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...				J Med Chem 57: 6259-65 (2014) Article DOI: 10.1021/jm500303u BindingDB Entry DOI: 10.7270/Q2KK9DFZ
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50047967 (CHEMBL3314861) Show SMILES ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1 Show InChI InChI=1S/C23H19N3O3/c27-21(26-28)13-12-16-8-10-17(11-9-16)14-22-24-25-23(29-22)15-19-6-3-5-18-4-1-2-7-20(18)19/h1-13,28H,14-15H2,(H,26,27)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	25
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay				J Med Chem 57: 6259-65 (2014) Article DOI: 10.1021/jm500303u BindingDB Entry DOI: 10.7270/Q2KK9DFZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50047967 (CHEMBL3314861) Show SMILES ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1 Show InChI InChI=1S/C23H19N3O3/c27-21(26-28)13-12-16-8-10-17(11-9-16)14-22-24-25-23(29-22)15-19-6-3-5-18-4-1-2-7-20(18)19/h1-13,28H,14-15H2,(H,26,27)/b13-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	25
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...				J Med Chem 57: 6259-65 (2014) Article DOI: 10.1021/jm500303u BindingDB Entry DOI: 10.7270/Q2KK9DFZ
					More data for this Ligand-Target Pair