BDBM50041529 CHEMBL3358391

SMILES: Brc1ccncc1NC(=O)c1cccc(c1)-c1ccc2ccccc2c1

InChI Key: InChIKey=CPSPDZNAUKTMPS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50041529   

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))	BDBM50041529 (CHEMBL3358391) Show SMILES Brc1ccncc1NC(=O)c1cccc(c1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H15BrN2O/c23-20-10-11-24-14-21(20)25-22(26)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant SIRT2 (34 to 356 residues) expressed in Escherichia coli BL21 using Fluor de Lys-SIRT as substrate incubat...				Bioorg Med Chem 23: 328-39 (2015) Article DOI: 10.1016/j.bmc.2014.11.027 BindingDB Entry DOI: 10.7270/Q2736SJS
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50041529 (CHEMBL3358391) Show SMILES Brc1ccncc1NC(=O)c1cccc(c1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H15BrN2O/c23-20-10-11-24-14-21(20)25-22(26)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,25,26)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 2 (unknown origin)				Eur J Med Chem 161: 48-77 (2019)
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human))	BDBM50041529 (CHEMBL3358391) Show SMILES Brc1ccncc1NC(=O)c1cccc(c1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H15BrN2O/c23-20-10-11-24-14-21(20)25-22(26)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo 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 45 mins b...				Bioorg Med Chem 23: 328-39 (2015) Article DOI: 10.1016/j.bmc.2014.11.027 BindingDB Entry DOI: 10.7270/Q2736SJS
					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50041529 (CHEMBL3358391) Show SMILES Brc1ccncc1NC(=O)c1cccc(c1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H15BrN2O/c23-20-10-11-24-14-21(20)25-22(26)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo 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 45 mins b...				Bioorg Med Chem 23: 328-39 (2015) Article DOI: 10.1016/j.bmc.2014.11.027 BindingDB Entry DOI: 10.7270/Q2736SJS
					More data for this Ligand-Target Pair