BDBM50400725 CHEMBL2203540

SMILES: CN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O

InChI Key: InChIKey=HRVBHCYNMJPPFC-LFIBNONCSA-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 = 50400725   

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 protein deacetylase sirtuin-5 (SIRT5) (Homo sapiens (Human))	BDBM50400725 (CHEMBL2203540) Show SMILES CN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C19H16N2O3S/c1-21-18(23)16(17(22)20-19(21)25)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22,25)/b16-11+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50400725 (CHEMBL2203540) Show SMILES CN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C19H16N2O3S/c1-21-18(23)16(17(22)20-19(21)25)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22,25)/b16-11+	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	5.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50400725 (CHEMBL2203540) Show SMILES CN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C19H16N2O3S/c1-21-18(23)16(17(22)20-19(21)25)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22,25)/b16-11+	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair