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SMILES: Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1

InChI Key: InChIKey=SJARSEBFYXSCRJ-QHCPKHFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230530   
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))
BDBM50230530
PNG
((S)-2-(benzylamino)-N-hydroxy-3-(N-(4-(p-tolyloxy)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H27N3O5S/c1-18-8-12-21(13-9-18)32-22-14-10-20(11-15-22)27(33(2,30)31)17-23(24(28)26-29)25-16-19-6-4-3-5-7-19/h3-15,23,25,29H,16-17H2,1-2H3,(H,26,28)/t23-/m0/s1
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Article
PubMed
n/an/a 7.10n/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))
BDBM50230530
PNG
((S)-2-(benzylamino)-N-hydroxy-3-(N-(4-(p-tolyloxy)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H27N3O5S/c1-18-8-12-21(13-9-18)32-22-14-10-20(11-15-22)27(33(2,30)31)17-23(24(28)26-29)25-16-19-6-4-3-5-7-19/h3-15,23,25,29H,16-17H2,1-2H3,(H,26,28)/t23-/m0/s1
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Article
PubMed
n/an/a 202n/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))
BDBM50230530
PNG
((S)-2-(benzylamino)-N-hydroxy-3-(N-(4-(p-tolyloxy)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H27N3O5S/c1-18-8-12-21(13-9-18)32-22-14-10-20(11-15-22)27(33(2,30)31)17-23(24(28)26-29)25-16-19-6-4-3-5-7-19/h3-15,23,25,29H,16-17H2,1-2H3,(H,26,28)/t23-/m0/s1
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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