BDBM50235296 CHEMBL4096623

SMILES: CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1

InChI Key: InChIKey=WNNBSMMLUSHSMC-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 = 50235296   

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))	BDBM50235296 (CHEMBL4096623) Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50235296 (CHEMBL4096623) Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 744-749 (2017) Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4
					More data for this Ligand-Target Pair