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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50137276'   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50137276
PNG
(6-Hydroxy-7-methoxy-2-(4-methoxy-benzenesulfonyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)c(OC)cc2C1C(=O)NO
Show InChI InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)
PDB
MMDB

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Similars

PubMed
n/an/a 123n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair