BDBM50100801 CHEMBL73512::{5-[(1-Hydroxycarbamoyl-ethyl)-(2-nitro-benzyl)-sulfamoyl]-2-methoxy-phenyl}-carbamic acid tert-butyl ester

SMILES: COc1ccc(cc1NC(=O)OC(C)(C)C)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO

InChI Key: InChIKey=UEBZJKSEKXSFTN-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 = 50100801   

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)	BDBM50100801 (CHEMBL73512 | {5-[(1-Hydroxycarbamoyl-ethyl)-(2-ni...) Show SMILES COc1ccc(cc1NC(=O)OC(C)(C)C)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO Show InChI InChI=1S/C22H28N4O9S/c1-14(20(27)24-29)25(13-15-8-6-7-9-18(15)26(30)31)36(32,33)16-10-11-19(34-5)17(12-16)23-21(28)35-22(2,3)4/h6-12,14,29H,13H2,1-5H3,(H,23,28)(H,24,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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