BDBM31930 carbohydrazide derivative, 3m

SMILES: Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br

InChI Key: InChIKey=LVLHTGJPIBVDTM-ZVBGSRNCSA-N

Data: 1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 31930   

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))	BDBM31930 (carbohydrazide derivative, 3m) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br Show InChI InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) (Helicobacter pylori (Campylobacter pylori))	BDBM31930 (carbohydrazide derivative, 3m) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br Show InChI InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr...				J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W
					More data for this Ligand-Target Pair				3D Structure (crystal)