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SMILES: CC(N(Cc1ccccc1[N+]([O-])=O)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NO

InChI Key: InChIKey=WXDIYCAJONWGGG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100774   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Collagenase ColA


(Clostridium perfringens)		BDBM50100774
PNG
(2-[(2,4-Dinitro-phenylsulfanyl)-(2-nitro-benzyl)-a...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NO
Show InChI InChI=1S/C16H15N5O8S/c1-10(16(22)17-23)18(9-11-4-2-3-5-13(11)20(26)27)30-15-7-6-12(19(24)25)8-14(15)21(28)29/h2-8,10,23H,9H2,1H3,(H,17,22)
KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
 9n/an/an/an/an/an/an/an/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