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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50127465'   
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
Collagenase


(Homo sapiens (Human))
BDBM50127465
PNG
(2-[1,1-Dioxo-7-(4-trifluoromethyl-phenoxy)-1,3,4,5...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)C(F)(F)F)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H18F3N3O5S/c1-11(17(25)23-26)24-9-8-22-15-10-14(6-7-16(15)30(24,27)28)29-13-4-2-12(3-5-13)18(19,20)21/h2-7,10-11,22,26H,8-9H2,1H3,(H,23,25)/t11-/m1/s1
PDB
MMDB

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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair