BDBM23295 (2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide::4-chlorocinnamic hydroxamate, 1

SMILES: ONC(=O)\C=C\c1ccc(Cl)cc1

InChI Key: InChIKey=YPYUWBDOEMPXSK-ZZXKWVIFSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 23295   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM23295 ((2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide | ...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of protease activity of Clostridium botulinum BoNT/A using SNAP-25 as substrate by FRET analysis				Bioorg Med Chem 24: 4875-4889 (2016) Article DOI: 10.1016/j.bmc.2016.07.031
					More data for this Ligand-Target Pair				3D Structure (crystal)
Botulinum Neurotoxin Type A (Clostridium botulinum)	BDBM23295 ((2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide | ...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute					Assay Description Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plat...				Bioorg Med Chem Lett 17: 6463-6 (2007) Article DOI: 10.1016/j.bmcl.2007.09.103 BindingDB Entry DOI: 10.7270/Q20G3HFM
					More data for this Ligand-Target Pair				3D Structure (crystal)