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Articleid 50030077

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290911
PNG
((1S,2R,3S)-2-Hydroxycarbamoylmethoxymethyl-3-pheny...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@@H](COCC(=O)NO)[C@@H]1CSc1ccccc1
Show InChI InChI=1S/C24H29N3O5S/c1-25-23(29)20(12-16-8-4-2-5-9-16)26-24(30)22-18(13-32-14-21(28)27-31)19(22)15-33-17-10-6-3-7-11-17/h2-11,18-20,22,31H,12-15H2,1H3,(H,25,29)(H,26,30)(H,27,28)/t18-,19-,20-,22-/m0/s1
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PC cid
PC sid
UniChem
Article
n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Gelatinase A, matrix metalloproteinase-2


Bioorg Med Chem Lett 7: 3119-3124 (1997)


Article DOI: 10.1016/S0960-894X(97)10171-8
BindingDB Entry DOI: 10.7270/Q27H1JM1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50290911
PNG
((1S,2R,3S)-2-Hydroxycarbamoylmethoxymethyl-3-pheny...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@@H](COCC(=O)NO)[C@@H]1CSc1ccccc1
Show InChI InChI=1S/C24H29N3O5S/c1-25-23(29)20(12-16-8-4-2-5-9-16)26-24(30)22-18(13-32-14-21(28)27-31)19(22)15-33-17-10-6-3-7-11-17/h2-11,18-20,22,31H,12-15H2,1H3,(H,25,29)(H,26,30)(H,27,28)/t18-,19-,20-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 3.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Gelatinase B, matrix metalloproteinase-9


Bioorg Med Chem Lett 7: 3119-3124 (1997)


Article DOI: 10.1016/S0960-894X(97)10171-8
BindingDB Entry DOI: 10.7270/Q27H1JM1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%