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SMILES: C[C@H](N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO)c1ccccc1

InChI Key: InChIKey=DMFDGAVDVQNWSQ-CYFREDJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230508   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50230508
PNG
((S)-N-hydroxy-2-((S)-1-phenylethylamino)-3-(N-(4-(...)
Show SMILES C[C@H](N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C25H29N3O5S/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)28(34(3,31)32)17-24(25(29)27-30)26-19(2)20-7-5-4-6-8-20/h4-16,19,24,26,30H,17H2,1-3H3,(H,27,29)/t19-,24-/m0/s1
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Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50230508
PNG
((S)-N-hydroxy-2-((S)-1-phenylethylamino)-3-(N-(4-(...)
Show SMILES C[C@H](N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C25H29N3O5S/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)28(34(3,31)32)17-24(25(29)27-30)26-19(2)20-7-5-4-6-8-20/h4-16,19,24,26,30H,17H2,1-3H3,(H,27,29)/t19-,24-/m0/s1
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50230508
PNG
((S)-N-hydroxy-2-((S)-1-phenylethylamino)-3-(N-(4-(...)
Show SMILES C[C@H](N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C25H29N3O5S/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)28(34(3,31)32)17-24(25(29)27-30)26-19(2)20-7-5-4-6-8-20/h4-16,19,24,26,30H,17H2,1-3H3,(H,27,29)/t19-,24-/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair