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BDBM50077435 (S)-7-((S)-2-Amino-propionylamino)-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydroxyamide::CHEMBL292671

SMILES: COc1ccc(cc1)S(=O)(=O)N1Cc2cc(NC(=O)[C@H](C)N)ccc2C[C@H]1C(=O)NO

InChI Key: InChIKey=MKTUSESWUSYVIL-SGTLLEGYSA-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 = 50077435   
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))
BDBM50077435
PNG
((S)-7-((S)-2-Amino-propionylamino)-2-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2cc(NC(=O)[C@H](C)N)ccc2C[C@H]1C(=O)NO
Show InChI InChI=1S/C20H24N4O6S/c1-12(21)19(25)22-15-4-3-13-10-18(20(26)23-27)24(11-14(13)9-15)31(28,29)17-7-5-16(30-2)6-8-17/h3-9,12,18,27H,10-11,21H2,1-2H3,(H,22,25)(H,23,26)/t12-,18-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5n/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