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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50290159'   
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))
BDBM50290159
PNG
(3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CC(C)C)CC(O)=O
Show InChI InChI=1S/C18H28N2O6S/c1-12(2)9-15(11-17(21)22)27(24,25)20-16(18(23)19-3)10-13-5-7-14(26-4)8-6-13/h5-8,12,15-16,20H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t15?,16-/m0/s1
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Similars

Article
>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 7: 2331-2336 (1997)


Article DOI: 10.1016/S0960-894X(97)00182-0
BindingDB Entry DOI: 10.7270/Q2TH8MQ4
More data for this
Ligand-Target Pair