BDBM50392055 CHEMBL2152621

SMILES: NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1

InChI Key: InChIKey=SAULHIDXVGCWSE-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 = 50392055   

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))	BDBM50392055 (CHEMBL2152621) Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1 Show InChI InChI=1S/C21H19FN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...				J Med Chem 55: 5760-73 (2012) Article DOI: 10.1021/jm3002108 BindingDB Entry DOI: 10.7270/Q2WW7JRS
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human))	BDBM50392055 (CHEMBL2152621) Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1 Show InChI InChI=1S/C21H19FN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT3 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...				J Med Chem 55: 5760-73 (2012) Article DOI: 10.1021/jm3002108 BindingDB Entry DOI: 10.7270/Q2WW7JRS
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50392055 (CHEMBL2152621) Show SMILES NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1 Show InChI InChI=1S/C21H19FN2O2/c22-16-6-3-5-15(13-16)11-12-26-18-8-4-7-17(14-18)24-20-10-2-1-9-19(20)21(23)25/h1-10,13-14,24H,11-12H2,(H2,23,25)	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	570	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...				J Med Chem 55: 5760-73 (2012) Article DOI: 10.1021/jm3002108 BindingDB Entry DOI: 10.7270/Q2WW7JRS
					More data for this Ligand-Target Pair