BDBM50387113 CHEMBL2047620

SMILES: COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1

InChI Key: InChIKey=LVQGYOAKAHMPNK-SXGWCWSVSA-N

Data: 2 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 2 hits for monomerid = 50387113   

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 2 (Homo sapiens (Human))	BDBM50387113 (CHEMBL2047620) Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis				Bioorg Med Chem 20: 4430-6 (2012) Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50387113 (CHEMBL2047620) Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis				Bioorg Med Chem 20: 4430-6 (2012) Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D
					More data for this Ligand-Target Pair