BDBM249366 US9464073, 003::US9884850, Compound 3

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

InChI Key: InChIKey=MRWCVKLVSWYIFO-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 249366   

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))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	961	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 US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	982	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 US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	4.38E+3	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 US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	3.70	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 US9464073 (2016) BindingDB Entry DOI: 10.7270/Q2TD9W8Z
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using acetyl-lysine tripeptide as substrate preincubated for 24 hrs followed by substrate addition and measured ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	982	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 US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	4.38E+3	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 US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	3.70	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 US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM249366 (US9464073, 003 | US9884850, Compound 3) Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1 Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	961	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 US9884850 (2018) BindingDB Entry DOI: 10.7270/Q2CZ3967
					More data for this Ligand-Target Pair