BDBM50168485 CHEMBL3806268

SMILES: NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1

InChI Key: InChIKey=DJFZAXDZXZYJRN-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 = 50168485   

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
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50168485 (CHEMBL3806268) Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1 Show InChI InChI=1S/C25H20N4O3/c26-24(30)21-13-23(15-28-14-21)32-16-17-2-1-3-22(12-17)29-25(31)20-6-4-18(5-7-20)19-8-10-27-11-9-19/h1-15H,16H2,(H2,26,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	974	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate inc...				J Med Chem 59: 2928-41 (2016) BindingDB Entry DOI: 10.7270/Q2Z89F9W
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human))	BDBM50168485 (CHEMBL3806268) Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1 Show InChI InChI=1S/C25H20N4O3/c26-24(30)21-13-23(15-28-14-21)32-16-17-2-1-3-22(12-17)29-25(31)20-6-4-18(5-7-20)19-8-10-27-11-9-19/h1-15H,16H2,(H2,26,30)(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	697	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...				J Med Chem 59: 2928-41 (2016) BindingDB Entry DOI: 10.7270/Q2Z89F9W
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50168485 (CHEMBL3806268) Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1 Show InChI InChI=1S/C25H20N4O3/c26-24(30)21-13-23(15-28-14-21)32-16-17-2-1-3-22(12-17)29-25(31)20-6-4-18(5-7-20)19-8-10-27-11-9-19/h1-15H,16H2,(H2,26,30)(H,29,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate in...				J Med Chem 59: 2928-41 (2016) BindingDB Entry DOI: 10.7270/Q2Z89F9W
					More data for this Ligand-Target Pair