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SMILES: CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NO

InChI Key: InChIKey=BLMSHVAQEDCGSU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100805   
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)		BDBM50100805
PNG
(CHEMBL73778 | {3-[(1-Hydroxycarbamoyl-ethyl)-(2-ni...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NO
Show InChI InChI=1S/C21H26N4O8S/c1-14(19(26)23-28)24(13-15-8-5-6-11-18(15)25(29)30)34(31,32)17-10-7-9-16(12-17)22-20(27)33-21(2,3)4/h5-12,14,28H,13H2,1-4H3,(H,22,27)(H,23,26)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 8n/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