BDBM50100852 CHEMBL72952::N-Hydroxy-2-[(2-nitro-benzyl)-phenylmethanesulfonyl-amino]-propionamide

SMILES: CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)Cc1ccccc1)C(=O)NO

InChI Key: InChIKey=TVVXNKNDFJCLHF-UHFFFAOYSA-N

Data: 1 KI

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 = 50100852   

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
Collagenase ColA (Clostridium perfringens)	BDBM50100852 (CHEMBL72952 | N-Hydroxy-2-[(2-nitro-benzyl)-phenyl...) Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C17H19N3O6S/c1-13(17(21)18-22)19(11-15-9-5-6-10-16(15)20(23)24)27(25,26)12-14-7-3-2-4-8-14/h2-10,13,22H,11-12H2,1H3,(H,18,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Western Australia Curated by ChEMBL					Assay Description Inhibitory activity against clostridium histolyticum collagenase				J Med Chem 44: 2253-8 (2001) BindingDB Entry DOI: 10.7270/Q2X066B7
					More data for this Ligand-Target Pair