BDBM50189906 CHEMBL3827412

SMILES: Nc1ccc(cc1NC(=O)C1CCCOC1)-c1ccc(F)cc1

InChI Key: InChIKey=UZLKENXSFHFRJQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50189906   

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 3 (Homo sapiens (Human))	BDBM50189906 (CHEMBL3827412) Show SMILES Nc1ccc(cc1NC(=O)C1CCCOC1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)21-18(22)14-2-1-9-23-11-14/h3-8,10,14H,1-2,9,11,20H2,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...				Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50189906 (CHEMBL3827412) Show SMILES Nc1ccc(cc1NC(=O)C1CCCOC1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)21-18(22)14-2-1-9-23-11-14/h3-8,10,14H,1-2,9,11,20H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled...				Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50189906 (CHEMBL3827412) Show SMILES Nc1ccc(cc1NC(=O)C1CCCOC1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN2O2/c19-15-6-3-12(4-7-15)13-5-8-16(20)17(10-13)21-18(22)14-2-1-9-23-11-14/h3-8,10,14H,1-2,9,11,20H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...				Bioorg Med Chem 24: 4008-4015 (2016) BindingDB Entry DOI: 10.7270/Q23B6220
					More data for this Ligand-Target Pair