BDBM50318662 CHEMBL1084868::[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid::{N-[3-(2-Chloro-phenylcarbamoyl)-propionyl]-N'-naphthalen-1-ylmethylene-hydrazino}-aceticAcid

SMILES: OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc1ccccc1Cl

InChI Key: InChIKey=HHHUDHYQFQBYIZ-AFUMVMLFSA-N

Data: 1 IC50

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 1 hit for monomerid = 50318662   

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
Nicotinate-nucleotide adenylyltransferase (Bacillus anthracis)	BDBM50318662 (CHEMBL1084868 | [(2E)-1-{4-[(2-chlorophenyl)amino]...) Show SMILES OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc1ccccc1Cl Show InChI InChI=1S/C23H20ClN3O4/c24-19-10-3-4-11-20(19)26-21(28)12-13-22(29)27(15-23(30)31)25-14-17-8-5-7-16-6-1-2-9-18(16)17/h1-11,14H,12-13,15H2,(H,26,28)(H,30,31)/b25-14+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...				J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT
					More data for this Ligand-Target Pair				3D Structure (crystal)