BDBM50080072 CHEMBL3415961

SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCC(=O)NO)nc2c(=O)[nH]1

InChI Key: InChIKey=FLBKQTSHSCEGFM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50080072   

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))	BDBM50080072 (CHEMBL3415961) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCC(=O)NO)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H22N8O4/c20-19-25-16-15(18(30)26-19)24-13(10-23-16)9-22-12-6-4-11(5-7-12)17(29)21-8-2-1-3-14(28)27-31/h4-7,10,22,31H,1-3,8-9H2,(H,21,29)(H,27,28)(H3,20,23,25,26,30)	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	Article PubMed	n/a	n/a	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry				Eur J Med Chem 96: 340-59 (2015) Article DOI: 10.1016/j.ejmech.2015.04.014 BindingDB Entry DOI: 10.7270/Q269759B
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50080072 (CHEMBL3415961) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCC(=O)NO)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H22N8O4/c20-19-25-16-15(18(30)26-19)24-13(10-23-16)9-22-12-6-4-11(5-7-12)17(29)21-8-2-1-3-14(28)27-31/h4-7,10,22,31H,1-3,8-9H2,(H,21,29)(H,27,28)(H3,20,23,25,26,30)	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	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry				Eur J Med Chem 96: 340-59 (2015) Article DOI: 10.1016/j.ejmech.2015.04.014 BindingDB Entry DOI: 10.7270/Q269759B
					More data for this Ligand-Target Pair