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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127475'   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50127475
PNG
(2-(7-Benzyloxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambd...)
Show SMILES C[C@@H](N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H21N3O5S/c1-13(18(22)20-23)21-10-9-19-16-11-15(7-8-17(16)27(21,24)25)26-12-14-5-3-2-4-6-14/h2-8,11,13,19,23H,9-10,12H2,1H3,(H,20,22)/t13-/m1/s1
PDB
MMDB

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<2.80n/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-2 (MMP-2)


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