BDBM139295 US10858323, Compound 1::US8614223, 73

SMILES: ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1

InChI Key: InChIKey=LIIWIMDSZVNYHY-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 139295   

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))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US8614223 (2013) BindingDB Entry DOI: 10.7270/Q2B27T00
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	128	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US8614223 (2013) BindingDB Entry DOI: 10.7270/Q2B27T00
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	219	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US8614223 (2013) BindingDB Entry DOI: 10.7270/Q2B27T00
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US8614223 (2013) BindingDB Entry DOI: 10.7270/Q2B27T00
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of HADC1 (unknown origin)				J Med Chem 63: 23-39 (2020) Article DOI: 10.1021/acs.jmedchem.9b00924
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US10858323 (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical R&D Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...				J Med Chem 62: 10711-10739 (2019) Article DOI: 10.1021/acs.jmedchem.9b01194
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Preclinical R&D Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...				J Med Chem 62: 10711-10739 (2019) Article DOI: 10.1021/acs.jmedchem.9b01194
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US10858323 (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US10858323 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US10858323 (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM139295 (US10858323, Compound 1 | US8614223, 73) Show SMILES ONC(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of HADC6 (unknown origin)				J Med Chem 63: 23-39 (2020) Article DOI: 10.1021/acs.jmedchem.9b00924
					More data for this Ligand-Target Pair