BDBM24623 4-[2-({3-[(dimethylamino)methyl]-1-benzofuran-2-yl}formamido)ethoxy]benzoic acid::CG-004

SMILES: CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(O)=O

InChI Key: InChIKey=WMMNKGDNQKNJKE-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 24623   

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 1 (Homo sapiens (Human))	BDBM24623 (4-[2-({3-[(dimethylamino)methyl]-1-benzofuran-2-yl...) Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H22N2O5/c1-23(2)13-17-16-5-3-4-6-18(16)28-19(17)20(24)22-11-12-27-15-9-7-14(8-10-15)21(25)26/h3-10H,11-13H2,1-2H3,(H,22,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	>-5.80	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera Genomics					Assay Description HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat...				Mol Cancer Ther 5: 1309-17 (2006) Article DOI: 10.1158/1535-7163.MCT-05-0442 BindingDB Entry DOI: 10.7270/Q2DF6PJJ
					More data for this Ligand-Target Pair