BDBM246 US10201527, Compound 43::US10736881, Compound 43::US8551988, 43

SMILES: CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12

InChI Key: InChIKey=XSLXTSUEIOVWIS-FNORWQNLSA-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 = 246   

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))	BDBM246 (US10201527, Compound 43 | US10736881, Compound 43 ...) Show SMILES CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C13H15N3O2/c1-3-16-9(2)14-11-8-10(4-6-12(11)16)5-7-13(17)15-18/h4-8,18H,3H2,1-2H3,(H,15,17)/b7-5+	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	192	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))	BDBM246 (US10201527, Compound 43 | US10736881, Compound 43 ...) Show SMILES CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C13H15N3O2/c1-3-16-9(2)14-11-8-10(4-6-12(11)16)5-7-13(17)15-18/h4-8,18H,3H2,1-2H3,(H,15,17)/b7-5+	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	947	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))	BDBM246 (US10201527, Compound 43 | US10736881, Compound 43 ...) Show SMILES CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C13H15N3O2/c1-3-16-9(2)14-11-8-10(4-6-12(11)16)5-7-13(17)15-18/h4-8,18H,3H2,1-2H3,(H,15,17)/b7-5+	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	192	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))	BDBM246 (US10201527, Compound 43 | US10736881, Compound 43 ...) Show SMILES CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C13H15N3O2/c1-3-16-9(2)14-11-8-10(4-6-12(11)16)5-7-13(17)15-18/h4-8,18H,3H2,1-2H3,(H,15,17)/b7-5+	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	192	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))	BDBM246 (US10201527, Compound 43 | US10736881, Compound 43 ...) Show SMILES CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C13H15N3O2/c1-3-16-9(2)14-11-8-10(4-6-12(11)16)5-7-13(17)15-18/h4-8,18H,3H2,1-2H3,(H,15,17)/b7-5+	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	947	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))	BDBM246 (US10201527, Compound 43 | US10736881, Compound 43 ...) Show SMILES CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C13H15N3O2/c1-3-16-9(2)14-11-8-10(4-6-12(11)16)5-7-13(17)15-18/h4-8,18H,3H2,1-2H3,(H,15,17)/b7-5+	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	947	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