BDBM50168901 CHEMBL3805070

SMILES: CN(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1

InChI Key: InChIKey=HRSXIKPVKMZYNS-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 = 50168901   

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 2 (Homo sapiens (Human))	BDBM50168901 (CHEMBL3805070) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1 Show InChI InChI=1S/C22H22N4O3/c1-26(2)19-8-6-16(7-9-19)22(28)25-18-5-3-4-15(10-18)14-29-20-11-17(21(23)27)12-24-13-20/h3-13H,14H2,1-2H3,(H2,23,27)(H,25,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	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
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human))	BDBM50168901 (CHEMBL3805070) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1 Show InChI InChI=1S/C22H22N4O3/c1-26(2)19-8-6-16(7-9-19)22(28)25-18-5-3-4-15(10-18)14-29-20-11-17(21(23)27)12-24-13-20/h3-13H,14H2,1-2H3,(H2,23,27)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.51E+3	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-1 (Homo sapiens (Human))	BDBM50168901 (CHEMBL3805070) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1 Show InChI InChI=1S/C22H22N4O3/c1-26(2)19-8-6-16(7-9-19)22(28)25-18-5-3-4-15(10-18)14-29-20-11-17(21(23)27)12-24-13-20/h3-13H,14H2,1-2H3,(H2,23,27)(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.05E+4	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