BDBM103547 US10201527, Compound 27::US10736881, Compound 27::US8551988, 27

SMILES: ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1

InChI Key: InChIKey=QAAVMDJOBPIAGN-JLHYYAGUSA-N

Data: 6 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 6 hits for monomerid = 103547   

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))	BDBM103547 (US10201527, Compound 27 | US10736881, Compound 27 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+	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	329	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))	BDBM103547 (US10201527, Compound 27 | US10736881, Compound 27 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92	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))	BDBM103547 (US10201527, Compound 27 | US10736881, Compound 27 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+	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	329	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))	BDBM103547 (US10201527, Compound 27 | US10736881, Compound 27 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+	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	329	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
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM103547 (US10201527, Compound 27 | US10736881, Compound 27 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92	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))	BDBM103547 (US10201527, Compound 27 | US10736881, Compound 27 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3cccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H24N4O2/c30-25(28-31)13-10-20-8-11-23-22(17-20)27-24(12-9-19-5-2-1-3-6-19)29(23)16-14-21-7-4-15-26-18-21/h1-8,10-11,13,15,17-18,31H,9,12,14,16H2,(H,28,30)/b13-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92	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