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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50082214'   
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))		BDBM50082214
PNG
((2R,3S)-2-Benzofuran-2-ylmethyl-3,N*4*-dihydroxy-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2o1)[C@H](O)C(=O)NO
Show InChI InChI=1S/C23H25N3O6/c1-24-22(29)18(11-14-7-3-2-4-8-14)25-21(28)17(20(27)23(30)26-31)13-16-12-15-9-5-6-10-19(15)32-16/h2-10,12,17-18,20,27,31H,11,13H2,1H3,(H,24,29)(H,25,28)(H,26,30)/t17-,18+,20+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease (MMP-1)

Bioorg Med Chem Lett 9: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C37
More data for this
Ligand-Target Pair