BDBM50088296 CHEMBL3427759

SMILES: NC(=O)C1CCCc2c1[nH]nc2-c1cc2ccccc2s1

InChI Key: InChIKey=YBYRXGAVPYXDGX-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 = 50088296   

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))	BDBM50088296 (CHEMBL3427759) Show SMILES NC(=O)C1CCCc2c1[nH]nc2-c1cc2ccccc2s1 Show InChI InChI=1S/C16H15N3OS/c17-16(20)11-6-3-5-10-14(11)18-19-15(10)13-8-9-4-1-2-7-12(9)21-13/h1-2,4,7-8,11H,3,5-6H2,(H2,17,20)(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant SIRT1 expressed in Escherichia coli using Cbz-Lys(Ac)-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 25: 2514-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.068 BindingDB Entry DOI: 10.7270/Q2X63PN0
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50088296 (CHEMBL3427759) Show SMILES NC(=O)C1CCCc2c1[nH]nc2-c1cc2ccccc2s1 Show InChI InChI=1S/C16H15N3OS/c17-16(20)11-6-3-5-10-14(11)18-19-15(10)13-8-9-4-1-2-7-12(9)21-13/h1-2,4,7-8,11H,3,5-6H2,(H2,17,20)(H,18,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant SIRT2 expressed in Escherichia coli using Cbz-Lys(Ac)-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 25: 2514-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.068 BindingDB Entry DOI: 10.7270/Q2X63PN0
					More data for this Ligand-Target Pair