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BDBM50077387 (R)-2-(4-Butoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydroxyamide::2-(4-Butoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydroxyamide::CHEMBL57461

SMILES: CCCCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO

InChI Key: InChIKey=GEPDPACRTHVSTD-LJQANCHMSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077387   
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))
BDBM50077387
PNG
((R)-2-(4-Butoxy-benzenesulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H24N2O5S/c1-2-3-12-27-17-8-10-18(11-9-17)28(25,26)22-14-16-7-5-4-6-15(16)13-19(22)20(23)21-24/h4-11,19,24H,2-3,12-14H2,1H3,(H,21,23)/t19-/m1/s1
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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