BDBM249367 US9464073, 004::US9884850, Compound 4

SMILES: ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1

InChI Key: InChIKey=DZTBKHYBGCZCBN-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 249367   

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))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	703	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))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	833	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))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.82E+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))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	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 1 (Homo sapiens (Human))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	703	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))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	833	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))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.82E+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))	BDBM249367 (US9464073, 004 | US9884850, Compound 4) Show SMILES ONC(=O)c1cnc(NC2(CCC3(CC2)OCCO3)c2cccc(F)c2)nc1 Show InChI InChI=1S/C19H21FN4O4/c20-15-3-1-2-14(10-15)18(4-6-19(7-5-18)27-8-9-28-19)23-17-21-11-13(12-22-17)16(25)24-26/h1-3,10-12,26H,4-9H2,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	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