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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50229634'   
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))
BDBM50229634
PNG
((S)-tetrahydrofuran-3-yl 4-((4-(4-cyanophenyl)pipe...)
Show SMILES ONC(=O)C1(CS(=O)(=O)N2CCC(CC2)c2ccc(cc2)C#N)CCN(CC1)C(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C24H32N4O7S/c25-15-18-1-3-19(4-2-18)20-5-10-28(11-6-20)36(32,33)17-24(22(29)26-31)8-12-27(13-9-24)23(30)35-21-7-14-34-16-21/h1-4,20-21,31H,5-14,16-17H2,(H,26,29)/t21-/m0/s1
PDB
MMDB

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n/an/a 9n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair