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BDBM50100825 2-[(3-Nitro-benzenesulfonyl)-(2-nitro-benzyl)-amino]-propionic acid::CHEMBL73357

SMILES: CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=CBDVBLJEDWGNLW-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100825   
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
Microbial collagenase


(Clostridium perfringens)
BDBM50100825
PNG
(2-[(3-Nitro-benzenesulfonyl)-(2-nitro-benzyl)-amin...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1/C16H15N3O8S/c1-11(16(20)21)17(10-12-5-2-3-8-15(12)19(24)25)28(26,27)14-7-4-6-13(9-14)18(22)23/h2-9,11H,10H2,1H3,(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20E+3n/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)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair