BDBM50522939 CHEMBL4435211

SMILES: ONC(=O)CCc1csc(CCc2cccc(F)c2)n1

InChI Key: InChIKey=GYMIPABMCDHDID-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 = 50522939   

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))	BDBM50522939 (CHEMBL4435211) Show SMILES ONC(=O)CCc1csc(CCc2cccc(F)c2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-3-1-2-10(8-11)4-7-14-16-12(9-20-14)5-6-13(18)17-19/h1-3,8-9,19H,4-7H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522939 (CHEMBL4435211) Show SMILES ONC(=O)CCc1csc(CCc2cccc(F)c2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-3-1-2-10(8-11)4-7-14-16-12(9-20-14)5-6-13(18)17-19/h1-3,8-9,19H,4-7H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036
					More data for this Ligand-Target Pair