BDBM218159 US9249087, 2

SMILES: ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1

InChI Key: InChIKey=SUWMPMSWSJBENV-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 218159   

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))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	5.83E+3	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	9.19E+3	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	9.75	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
European Molecular Biology Laboratory Curated by ChEMBL					Assay Description Inhibition of dye-labeled tracer binding to HDAC6 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter g...				J Med Chem 62: 4426-4443 (2019) Article DOI: 10.1021/acs.jmedchem.8b01936
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	8.16E+3	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
European Molecular Biology Laboratory Curated by ChEMBL					Assay Description Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assay				J Med Chem 62: 4426-4443 (2019) Article DOI: 10.1021/acs.jmedchem.8b01936
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
European Molecular Biology Laboratory Curated by ChEMBL					Assay Description Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter ...				J Med Chem 62: 4426-4443 (2019) Article DOI: 10.1021/acs.jmedchem.8b01936
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM218159 (US9249087, 2) Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	417	n/a	n/a	n/a	n/a	8.0	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA US Patent					Assay Description HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...				US Patent US9249087 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z3W
					More data for this Ligand-Target Pair