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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50070228'   
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))
BDBM50070228
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00185-1
BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair