BDBM50026431 CHEMBL3335300

SMILES: ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1

InChI Key: InChIKey=GIMAODGURWKHJY-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50026431   

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 4 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50026431 (CHEMBL3335300) Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay				Eur J Med Chem 86: 639-52 (2014) Article DOI: 10.1016/j.ejmech.2014.09.024 BindingDB Entry DOI: 10.7270/Q2NV9KTB
					More data for this Ligand-Target Pair