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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix Metalloproteinase-8 (MMP-8)' and Ligand = 'BDBM50130099'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50130099
PNG
(4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C27H34N4O10S/c1-3-39-27(34)30-14-12-29(13-15-30)25(32)11-9-22(26(33)28-35)31(17-19-4-10-23-24(16-19)41-18-40-23)42(36,37)21-7-5-20(38-2)6-8-21/h4-8,10,16,22,35H,3,9,11-15,17-18H2,1-2H3,(H,28,33)/t22-/m1/s1
PDB
MMDB

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PC cid
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6n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP-8


Bioorg Med Chem Lett 13: 2381-4 (2003)


BindingDB Entry DOI: 10.7270/Q26H4GS8
More data for this
Ligand-Target Pair