BDBM50396053 CHEMBL2170194

SMILES: O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12

InChI Key: InChIKey=QPTGWITYTSXRJB-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 = 50396053   

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))	BDBM50396053 (CHEMBL2170194) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12 Show InChI InChI=1S/C15H10N2O2S/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50396053 (CHEMBL2170194) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12 Show InChI InChI=1S/C15H10N2O2S/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hyderabad Campus Curated by ChEMBL					Assay Description Inhibition of human SIRT2				Bioorg Med Chem Lett 22: 6160-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.017 BindingDB Entry DOI: 10.7270/Q2CV4JWF
					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50396053 (CHEMBL2170194) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12 Show InChI InChI=1S/C15H10N2O2S/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair