BDBM50222452 CHEMBL137100::Octanedioic acid phenylamide pyridin-2-ylamide

SMILES: O=C(CCCCCCC(=O)Nc1ccccn1)Nc1ccccc1

InChI Key: InChIKey=QSUXHQUVCUHWJP-UHFFFAOYSA-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 = 50222452   

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 (Homo sapiens (Human))	BDBM50222452 (CHEMBL137100 | Octanedioic acid phenylamide pyridi...) Show SMILES O=C(CCCCCCC(=O)Nc1ccccn1)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O2/c23-18(21-16-10-4-3-5-11-16)13-6-1-2-7-14-19(24)22-17-12-8-9-15-20-17/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,21,23)(H,20,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell extract by fluorescence plate reader assay				Nat Chem Biol 2: 551-8 (2006) Article DOI: 10.1038/nchembio815 BindingDB Entry DOI: 10.7270/Q29C718V
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50222452 (CHEMBL137100 | Octanedioic acid phenylamide pyridi...) Show SMILES O=C(CCCCCCC(=O)Nc1ccccn1)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O2/c23-18(21-16-10-4-3-5-11-16)13-6-1-2-7-14-19(24)22-17-12-8-9-15-20-17/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,21,23)(H,20,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract				Bioorg Med Chem Lett 13: 4321-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q81G8N
					More data for this Ligand-Target Pair