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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase ColA' and Ligand = 'BDBM50100823'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Collagenase ColA


(Clostridium perfringens)		BDBM50100823
PNG
(2-[(4-Acetyl-benzenesulfonyl)-(2-nitro-benzyl)-ami...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C18H19N3O7S/c1-12(18(23)19-24)20(11-15-5-3-4-6-17(15)21(25)26)29(27,28)16-9-7-14(8-10-16)13(2)22/h3-10,12,24H,11H2,1-2H3,(H,19,23)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 10n/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