BDBM50189910 CHEMBL3827262

SMILES: Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1

InChI Key: InChIKey=IFZXXRSSOBBLAV-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 = 50189910   

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))	BDBM50189910 (CHEMBL3827262) Show SMILES Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.49E+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 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))	BDBM50189910 (CHEMBL3827262) Show SMILES Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	219	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))	BDBM50189910 (CHEMBL3827262) Show SMILES Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(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 Patents Similars	PubMed	n/a	n/a	123	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