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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50100809'   
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))
BDBM50100809
PNG
(2-(N-(2-nitrobenzyl)-4-methoxyphenylsulfonamido)-N...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO
Show InChI InChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-5-3-4-6-16(13)20(23)24)28(25,26)15-9-7-14(27-2)8-10-15/h3-10,12,22H,11H2,1-2H3,(H,18,21)
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MMDB

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Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair