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BDBM50077438 (R)-2-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydroxyamide::CHEMBL58829

SMILES: ONC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1

InChI Key: InChIKey=DHXMAFQQCCOWGL-JOCHJYFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077438   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50077438
PNG
((R)-2-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]-1,2...)
Show SMILES ONC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H21FN2O5S/c24-19-7-5-16(6-8-19)15-31-20-9-11-21(12-10-20)32(29,30)26-14-18-4-2-1-3-17(18)13-22(26)23(27)25-28/h1-12,22,28H,13-15H2,(H,25,27)/t22-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil collagenase [Matrix Metalloprotease-8, MMP-8]


J Med Chem 42: 1908-20 (1999)


Article DOI: 10.1021/jm980631s
BindingDB Entry DOI: 10.7270/Q2251JV5
More data for this
Ligand-Target Pair