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SMILES: OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1

InChI Key: InChIKey=FNOKUWISQMMAIS-HWKANZROSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 103541   

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 8 (Homo sapiens (Human))	BDBM103541 (US10201527, Compound 11 | US10736881, Compound 11 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1 Show InChI InChI=1S/C18H18N4O3/c23-11-1-10-22-16-4-2-13(3-5-17(24)21-25)12-15(16)20-18(22)14-6-8-19-9-7-14/h2-9,12,23,25H,1,10-11H2,(H,21,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103541 (US10201527, Compound 11 | US10736881, Compound 11 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1 Show InChI InChI=1S/C18H18N4O3/c23-11-1-10-22-16-4-2-13(3-5-17(24)21-25)12-15(16)20-18(22)14-6-8-19-9-7-14/h2-9,12,23,25H,1,10-11H2,(H,21,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	846	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103541 (US10201527, Compound 11 | US10736881, Compound 11 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1 Show InChI InChI=1S/C18H18N4O3/c23-11-1-10-22-16-4-2-13(3-5-17(24)21-25)12-15(16)20-18(22)14-6-8-19-9-7-14/h2-9,12,23,25H,1,10-11H2,(H,21,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent									US Patent US10736881 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM103541 (US10201527, Compound 11 | US10736881, Compound 11 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1 Show InChI InChI=1S/C18H18N4O3/c23-11-1-10-22-16-4-2-13(3-5-17(24)21-25)12-15(16)20-18(22)14-6-8-19-9-7-14/h2-9,12,23,25H,1,10-11H2,(H,21,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5×105 cells/well for 24 h. Colo20...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103541 (US10201527, Compound 11 | US10736881, Compound 11 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1 Show InChI InChI=1S/C18H18N4O3/c23-11-1-10-22-16-4-2-13(3-5-17(24)21-25)12-15(16)20-18(22)14-6-8-19-9-7-14/h2-9,12,23,25H,1,10-11H2,(H,21,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	846	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10736881 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM103541 (US10201527, Compound 11 | US10736881, Compound 11 ...) Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccncc1 Show InChI InChI=1S/C18H18N4O3/c23-11-1-10-22-16-4-2-13(3-5-17(24)21-25)12-15(16)20-18(22)14-6-8-19-9-7-14/h2-9,12,23,25H,1,10-11H2,(H,21,24)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	846	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair