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BDBM50100772 2-[(2-Nitro-benzyl)-(2,4,6-trimethyl-benzenesulfonyl)-amino]-propionic acid::CHEMBL72623

SMILES: CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O

InChI Key: InChIKey=HPSAUYZMBXCLSF-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100772   
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)
BDBM50100772
PNG
(2-[(2-Nitro-benzyl)-(2,4,6-trimethyl-benzenesulfon...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1/C19H22N2O6S/c1-12-9-13(2)18(14(3)10-12)28(26,27)20(15(4)19(22)23)11-16-7-5-6-8-17(16)21(24)25/h5-10,15H,11H2,1-4H3,(H,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+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