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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50247788'   
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))
BDBM50247788
PNG
((2R,3S)-N1-((S)-3-(4-guanidinophenyl)-1-(methylami...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6@H](-[#6]-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#8] |r|
Show InChI InChI=1S/C28H40N6O4/c1-18(2)16-23(22(26(36)34-38)11-7-10-19-8-5-4-6-9-19)25(35)33-24(27(37)31-3)17-20-12-14-21(15-13-20)32-28(29)30/h4-6,8-9,12-15,18,22-24,38H,7,10-11,16-17H2,1-3H3,(H,31,37)(H,33,35)(H,34,36)(H4,29,30,32)/t22-,23+,24-/m0/s1
PDB
MMDB

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Article
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n/an/a 6n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair