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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50103102'   
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))
BDBM50103102
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1
PDB
MMDB

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36n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair