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SMILES: Cc1ccc(Oc2ccc(cc2)N(C[C@H](Nc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1

InChI Key: InChIKey=JKSLNLNYDBSARV-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230497   
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))
BDBM50230497
PNG
((S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](Nc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H25N3O5S/c1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h3-15,22,24,28H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
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Article
PubMed
n/an/a 0.520n/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))
BDBM50230497
PNG
((S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](Nc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H25N3O5S/c1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h3-15,22,24,28H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
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Article
PubMed
n/an/a 13n/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))
BDBM50230497
PNG
((S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](Nc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H25N3O5S/c1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h3-15,22,24,28H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
PDB
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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