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SMILES: CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)NO

InChI Key: InChIKey=CPEORQKSEZUEEA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100844   
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)		BDBM50100844
PNG
(2-[(4-Acetylamino-benzenesulfonyl)-(2-nitro-benzyl...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)NO
Show InChI InChI=1S/C18H20N4O7S/c1-12(18(24)20-25)21(11-14-5-3-4-6-17(14)22(26)27)30(28,29)16-9-7-15(8-10-16)19-13(2)23/h3-10,12,25H,11H2,1-2H3,(H,19,23)(H,20,24)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 12n/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